{ "Version": 80, "ExpressionProfiles": [ { "Type": "Enzyme", "Species": "Human", "Molecule": "CYP3A4", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "CYP3A4|Reference concentration", "Value": 4.32, "Unit": "µmol/l" }, { "Path": "CYP3A4|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "CYP3A4|t1/2 (liver)", "Value": 36.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Path": "Organism|Brain|Intracellular|CYP3A4|Relative expression", "Value": 0.0041682898325 }, { "Path": "Organism|Gonads|Intracellular|CYP3A4|Relative expression", "Value": 0.00078691079081 }, { "Path": "Organism|Kidney|Intracellular|CYP3A4|Relative expression", "Value": 0.0053603428126 }, { "Path": "Organism|Liver|Pericentral|Intracellular|CYP3A4|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|CYP3A4|Relative expression", "Value": 1.0 }, { "Path": "Organism|Lung|Intracellular|CYP3A4|Relative expression", "Value": 0.00042695753798 }, { "Path": "Organism|SmallIntestine|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702 } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome", "Ontogeny": { "Name": "CYP3A4" } }, { "Type": "Enzyme", "Species": "Human", "Molecule": "AADAC", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "AADAC|Reference concentration", "Value": 1.0, "Unit": "µmol/l" }, { "Path": "AADAC|Relative expression in blood cells", "Value": 3.9102564103E-05 }, { "Path": "AADAC|Relative expression in plasma", "Value": 3.9102564103E-05 }, { "Path": "AADAC|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "AADAC|t1/2 (liver)", "Value": 36.0, "Unit": "h" }, { "Path": "Organism|Bone|Intracellular|AADAC|Relative expression", "Value": 4.8717948718E-05 }, { "Path": "Organism|Brain|Intracellular|AADAC|Relative expression", "Value": 3.9743589744E-05 }, { "Path": "Organism|Gonads|Intracellular|AADAC|Relative expression", "Value": 0.0011923076923 }, { "Path": "Organism|Heart|Intracellular|AADAC|Relative expression", "Value": 0.0026602564103 }, { "Path": "Organism|Kidney|Intracellular|AADAC|Relative expression", "Value": 5.7051282051E-05 }, { "Path": "Organism|LargeIntestine|Intracellular|AADAC|Relative expression", "Value": 0.00010384615385 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonAscendens|Intracellular|AADAC|Relative expression", "Value": 0.00010384615385 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonDescendens|Intracellular|AADAC|Relative expression", "Value": 0.00010384615385 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonSigmoid|Intracellular|AADAC|Relative expression", "Value": 0.00010384615385 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonTransversum|Intracellular|AADAC|Relative expression", "Value": 0.00010384615385 }, { "Path": "Organism|Liver|Pericentral|Intracellular|AADAC|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|AADAC|Relative expression", "Value": 1.0 }, { "Path": "Organism|Lung|Intracellular|AADAC|Relative expression", "Value": 0.0269230769 }, { "Path": "Organism|Muscle|Intracellular|AADAC|Relative expression", "Value": 0.00020833333333 }, { "Path": "Organism|Pancreas|Intracellular|AADAC|Relative expression", "Value": 0.1474358974 }, { "Path": "Organism|SmallIntestine|Intracellular|AADAC|Relative expression", "Value": 0.2544871795 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|AADAC|Relative expression", "Value": 0.2544871795 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|AADAC|Relative expression", "Value": 0.2544871795 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|AADAC|Relative expression", "Value": 0.2544871795 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|AADAC|Relative expression", "Value": 0.2544871795 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|AADAC|Relative expression", "Value": 0.2544871795 }, { "Path": "Organism|Spleen|Intracellular|AADAC|Relative expression", "Value": 0.00037115384615 }, { "Path": "Organism|Stomach|Intracellular|AADAC|Relative expression", "Value": 0.0775641026 } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome" }, { "Type": "Enzyme", "Species": "Human", "Molecule": "CYP3A5", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "CYP3A5|Reference concentration", "Value": 0.04, "Unit": "µmol/l" }, { "Path": "CYP3A5|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "CYP3A5|t1/2 (liver)", "Value": 36.0, "Unit": "h" }, { "Path": "Organism|Brain|Intracellular|CYP3A5|Relative expression", "Value": 0.0041810344828 }, { "Path": "Organism|Kidney|Intracellular|CYP3A5|Relative expression", "Value": 0.1681034483 }, { "Path": "Organism|Liver|Pericentral|Intracellular|CYP3A5|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|CYP3A5|Relative expression", "Value": 1.0 }, { "Path": "Organism|Lung|Intracellular|CYP3A5|Relative expression", "Value": 0.1620689655 }, { "Path": "Organism|SmallIntestine|Intracellular|CYP3A5|Relative expression", "Value": 0.5379310345 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|CYP3A5|Relative expression", "Value": 0.5379310345 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|CYP3A5|Relative expression", "Value": 0.5379310345 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|CYP3A5|Relative expression", "Value": 0.5379310345 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|CYP3A5|Relative expression", "Value": 0.5379310345 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|CYP3A5|Relative expression", "Value": 0.5379310345 } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome", "Ontogeny": { "Name": "CYP3A5" } }, { "Type": "Enzyme", "Species": "Human", "Molecule": "CYP2C9", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "CYP2C9|Reference concentration", "Value": 3.84, "Unit": "µmol/l" }, { "Path": "CYP2C9|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "CYP2C9|t1/2 (liver)", "Value": 104.0, "Unit": "h" }, { "Path": "Organism|Brain|Intracellular|CYP2C9|Relative expression", "Value": 0.00039687350455 }, { "Path": "Organism|Gonads|Intracellular|CYP2C9|Relative expression", "Value": 4.5940341362E-05 }, { "Path": "Organism|Kidney|Intracellular|CYP2C9|Relative expression", "Value": 0.0018822778753 }, { "Path": "Organism|Liver|Pericentral|Intracellular|CYP2C9|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|CYP2C9|Relative expression", "Value": 1.0 }, { "Path": "Organism|Lung|Intracellular|CYP2C9|Relative expression", "Value": 0.0002131121391 }, { "Path": "Organism|SmallIntestine|Intracellular|CYP2C9|Relative expression", "Value": 0.1199553358 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|CYP2C9|Relative expression", "Value": 0.1199553358 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|CYP2C9|Relative expression", "Value": 0.1199553358 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|CYP2C9|Relative expression", "Value": 0.1199553358 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|CYP2C9|Relative expression", "Value": 0.1199553358 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|CYP2C9|Relative expression", "Value": 0.1199553358 } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome", "Ontogeny": { "Name": "CYP2C9" } }, { "Type": "Enzyme", "Species": "Human", "Molecule": "CYP1A2", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "CYP1A2|Reference concentration", "Value": 1.8, "Unit": "µmol/l" }, { "Path": "CYP1A2|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "CYP1A2|t1/2 (liver)", "Value": 39.0, "Unit": "h" }, { "Path": "Organism|Gonads|Intracellular|CYP1A2|Relative expression", "Value": 0.00029559748428 }, { "Path": "Organism|Kidney|Intracellular|CYP1A2|Relative expression", "Value": 4.4025157233E-06 }, { "Path": "Organism|Liver|Pericentral|Intracellular|CYP1A2|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|CYP1A2|Relative expression", "Value": 1.0 }, { "Path": "Organism|Lung|Intracellular|CYP1A2|Relative expression", "Value": 2.4947589099E-05 } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome", "Ontogeny": { "Name": "CYP1A2" } }, { "Type": "Transporter", "Species": "Human", "Molecule": "ABCB1", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "ABCB1|Reference concentration", "Value": 1.0, "Unit": "µmol/l" }, { "Path": "ABCB1|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "ABCB1|t1/2 (liver)", "Value": 36.0, "Unit": "h" }, { "Path": "Organism|Bone|Intracellular|ABCB1|Relative expression", "Value": 0.0341950646 }, { "Path": "Organism|Brain|Intracellular|ABCB1|Relative expression", "Value": 0.1072855464 }, { "Path": "Organism|Gonads|Intracellular|ABCB1|Relative expression", "Value": 0.024559342 }, { "Path": "Organism|Heart|Intracellular|ABCB1|Relative expression", "Value": 0.059106933 }, { "Path": "Organism|Kidney|Intracellular|ABCB1|Relative expression", "Value": 1.0 }, { "Path": "Organism|LargeIntestine|Intracellular|ABCB1|Relative expression", "Value": 0.1562867215 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonAscendens|Intracellular|ABCB1|Relative expression", "Value": 0.1562867215 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonDescendens|Intracellular|ABCB1|Relative expression", "Value": 0.1562867215 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonSigmoid|Intracellular|ABCB1|Relative expression", "Value": 0.1562867215 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonTransversum|Intracellular|ABCB1|Relative expression", "Value": 0.1562867215 }, { "Path": "Organism|Liver|Pericentral|Intracellular|ABCB1|Relative expression", "Value": 0.2702702703 }, { "Path": "Organism|Liver|Periportal|Intracellular|ABCB1|Relative expression", "Value": 0.2702702703 }, { "Path": "Organism|Lung|Intracellular|ABCB1|Relative expression", "Value": 0.0927144536 }, { "Path": "Organism|Muscle|Intracellular|ABCB1|Relative expression", "Value": 0.0180963572 }, { "Path": "Organism|Pancreas|Intracellular|ABCB1|Relative expression", "Value": 0.0200940071 }, { "Path": "Organism|SmallIntestine|Intracellular|ABCB1|Relative expression", "Value": 0.3960047004 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|ABCB1|Relative expression", "Value": 0.3960047004 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|ABCB1|Relative expression", "Value": 0.3960047004 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|ABCB1|Relative expression", "Value": 0.3960047004 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|ABCB1|Relative expression", "Value": 0.3960047004 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|ABCB1|Relative expression", "Value": 0.3960047004 }, { "Path": "Organism|Spleen|Intracellular|ABCB1|Relative expression", "Value": 0.1047003525 }, { "Path": "Organism|Stomach|Intracellular|ABCB1|Relative expression", "Value": 0.0367802585 } ], "TransportType": "Efflux", "Expression": [ { "Name": "Bone", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Brain", "TransportDirection": "EffluxBrainInterstitialToPlasma", "CompartmentName": "Plasma" }, { "Name": "Brain", "TransportDirection": "EffluxBrainTissueToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Fat", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Gonads", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Heart", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Kidney", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Kidney", "TransportDirection": "ExcretionKidney", "CompartmentName": "Intracellular" }, { "Name": "Stomach", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "SmallIntestine", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Duodenum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Duodenum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "UpperJejunum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "UpperJejunum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "LowerJejunum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "LowerJejunum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "UpperIleum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "UpperIleum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "LowerIleum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "LowerIleum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "LargeIntestine", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Caecum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Caecum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "ColonAscendens", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "ColonAscendens", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "ColonTransversum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "ColonTransversum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "ColonDescendens", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "ColonDescendens", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "ColonSigmoid", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "ColonSigmoid", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "Rectum", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Rectum", "TransportDirection": "EffluxMucosaIntracellularToLumen", "CompartmentName": "Intracellular" }, { "Name": "Periportal", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Periportal", "TransportDirection": "ExcretionLiver", "CompartmentName": "Intracellular" }, { "Name": "Pericentral", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Interstitial" }, { "Name": "Pericentral", "TransportDirection": "ExcretionLiver", "CompartmentName": "Intracellular" }, { "Name": "Lung", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Muscle", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Pancreas", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Skin", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "Spleen", "TransportDirection": "EffluxIntracellularToInterstitial", "CompartmentName": "Intracellular" }, { "Name": "BloodCells", "TransportDirection": "EffluxBloodCellsToPlasma" }, { "Name": "VascularEndothelium", "TransportDirection": "EffluxInterstitialToPlasma" } ] }, { "Type": "Transporter", "Species": "Human", "Molecule": "OATP1B1", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "OATP1B1|Reference concentration", "Value": 1.0, "Unit": "µmol/l" }, { "Path": "OATP1B1|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "OATP1B1|t1/2 (liver)", "Value": 36.0, "Unit": "h" }, { "Path": "Organism|Brain|Intracellular|OATP1B1|Relative expression", "Value": 0.00014166666667 }, { "Path": "Organism|Gonads|Intracellular|OATP1B1|Relative expression", "Value": 0.0141666667 }, { "Path": "Organism|Heart|Intracellular|OATP1B1|Relative expression", "Value": 0.0008253968254 }, { "Path": "Organism|Liver|Pericentral|Intracellular|OATP1B1|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|OATP1B1|Relative expression", "Value": 1.0 }, { "Path": "Organism|Lung|Intracellular|OATP1B1|Relative expression", "Value": 4.0079365079E-05 }, { "Path": "Organism|Muscle|Intracellular|OATP1B1|Relative expression", "Value": 0.00064682539683 } ], "TransportType": "Influx", "Expression": [ { "Name": "Bone", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Brain", "TransportDirection": "InfluxBrainPlasmaToInterstitial", "CompartmentName": "Plasma" }, { "Name": "Brain", "TransportDirection": "InfluxBrainInterstitialToTissue", "CompartmentName": "Interstitial" }, { "Name": "Fat", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Gonads", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Heart", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Kidney", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "Kidney", "TransportDirection": "ExcretionKidney", "CompartmentName": "Intracellular" }, { "Name": "Stomach", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "SmallIntestine", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Duodenum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "Duodenum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "UpperJejunum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "UpperJejunum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "LowerJejunum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "LowerJejunum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "UpperIleum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "UpperIleum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "LowerIleum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "LowerIleum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "LargeIntestine", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Caecum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "Caecum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "ColonAscendens", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "ColonAscendens", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "ColonTransversum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "ColonTransversum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "ColonDescendens", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "ColonDescendens", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "ColonSigmoid", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "ColonSigmoid", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Rectum", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "Rectum", "TransportDirection": "InfluxLumenToMucosaIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Periportal", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "Periportal", "TransportDirection": "ExcretionLiver", "CompartmentName": "Intracellular" }, { "Name": "Pericentral", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Interstitial" }, { "Name": "Pericentral", "TransportDirection": "ExcretionLiver", "CompartmentName": "Intracellular" }, { "Name": "Lung", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Muscle", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Pancreas", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Skin", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "Spleen", "TransportDirection": "InfluxInterstitialToIntracellular", "CompartmentName": "Intracellular" }, { "Name": "BloodCells", "TransportDirection": "InfluxPlasmaToBloodCells" }, { "Name": "VascularEndothelium", "TransportDirection": "InfluxPlasmaToInterstitial" } ] }, { "Type": "Enzyme", "Species": "Human", "Molecule": "UGT2B7", "Category": "Standard European Male for DDI", "Parameters": [ { "Path": "Organism|Gonads|Intracellular|UGT2B7|Relative expression", "Value": 0.00094468085106 }, { "Path": "Organism|LargeIntestine|Intracellular|UGT2B7|Relative expression", "Value": 0.0049787234043 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonAscendens|Intracellular|UGT2B7|Relative expression", "Value": 0.0049787234043 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonDescendens|Intracellular|UGT2B7|Relative expression", "Value": 0.0049787234043 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonSigmoid|Intracellular|UGT2B7|Relative expression", "Value": 0.0049787234043 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonTransversum|Intracellular|UGT2B7|Relative expression", "Value": 0.0049787234043 }, { "Path": "Organism|Liver|Pericentral|Intracellular|UGT2B7|Relative expression", "Value": 1.0 }, { "Path": "Organism|Liver|Periportal|Intracellular|UGT2B7|Relative expression", "Value": 1.0 }, { "Path": "Organism|Pancreas|Intracellular|UGT2B7|Relative expression", "Value": 0.0354468085 }, { "Path": "Organism|SmallIntestine|Intracellular|UGT2B7|Relative expression", "Value": 0.5361702128 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|UGT2B7|Relative expression", "Value": 0.5361702128 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|UGT2B7|Relative expression", "Value": 0.5361702128 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|UGT2B7|Relative expression", "Value": 0.5361702128 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|UGT2B7|Relative expression", "Value": 0.5361702128 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|UGT2B7|Relative expression", "Value": 0.5361702128 }, { "Path": "UGT2B7|Reference concentration", "Value": 1.0, "Unit": "µmol/l" }, { "Path": "UGT2B7|t1/2 (intestine)", "Value": 23.0, "Unit": "h" }, { "Path": "UGT2B7|t1/2 (liver)", "Value": 36.0, "Unit": "h" } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome", "Ontogeny": { "Name": "UGT2B7" } } ], "Individuals": [ { "Name": "Standard European Male for DDI", "Seed": 345424277, "OriginData": { "CalculationMethods": [ "SurfaceAreaPlsInt_VAR1", "Body surface area - Mosteller" ], "Species": "Human", "Population": "European_ICRP_2002", "Gender": "MALE", "Age": { "Value": 30.0, "Unit": "year(s)" } }, "ExpressionProfiles": [ "CYP3A4|Human|Standard European Male for DDI", "AADAC|Human|Standard European Male for DDI", "CYP3A5|Human|Standard European Male for DDI", "CYP2C9|Human|Standard European Male for DDI", "CYP1A2|Human|Standard European Male for DDI", "ABCB1|Human|Standard European Male for DDI", "OATP1B1|Human|Standard European Male for DDI", "UGT2B7|Human|Standard European Male for DDI" ], "Description": "Version 1.1" } ], "Compounds": [ { "Name": "Fluconazole", "IsSmallMolecule": true, "PlasmaProteinBindingPartner": "Glycoprotein", "Lipophilicity": [ { "Name": "Optimized_Lipophilicity", "Parameters": [ { "Name": "Lipophilicity", "Value": 0.8302390226, "Unit": "Log Units", "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 1' on 2021-07-13 15:29" } } ] } ], "FractionUnbound": [ { "Name": "Measurement_Fraction_Unbound_Pfizer", "Species": "Human", "Parameters": [ { "Name": "Fraction unbound (plasma, reference value)", "Value": 89.0, "Unit": "%" } ] } ], "Solubility": [ { "Name": "Measurement_Solubility_Charoo2014", "Parameters": [ { "Name": "Solubility at reference pH", "Value": 6.9, "Unit": "mg/ml" }, { "Name": "Reference pH", "Value": 7.0 } ] } ], "IntestinalPermeability": [ { "Name": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "Parameters": [ { "Name": "Specific intestinal permeability (transcellular)", "Value": 0.000213, "Unit": "cm/s" } ] } ], "PkaTypes": [ { "Type": "Base", "Pka": 2.03, "ValueOrigin": { "Source": "Unknown" } } ], "Processes": [ { "InternalName": "MetabolizationIntrinsic_FirstOrder", "DataSource": "Watt2018", "Species": "Human", "Molecule": "UGT2B7", "Parameters": [ { "Name": "Intrinsic clearance", "Value": 0.008, "Unit": "l/min" }, { "Name": "Specific clearance", "Value": 0.0018460294654, "Unit": "1/min", "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 1' on 2021-07-13 15:29" } } ] }, { "InternalName": "GlomerularFiltration", "DataSource": "Watt2018", "Species": "Human", "Parameters": [ { "Name": "GFR fraction", "Value": 0.1433240785, "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 1' on 2021-07-13 15:29" } } ] }, { "InternalName": "NoncompetitiveInhibition", "DataSource": "Sakaeda2005", "Molecule": "CYP3A4", "Parameters": [ { "Name": "Ki", "Value": 13.1, "Unit": "µmol/l" } ] } ], "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Parameters": [ { "Name": "F", "Value": 2.0 }, { "Name": "Molecular weight", "Value": 306.328, "Unit": "g/mol" } ] } ], "Formulations": [ { "Name": "Fluconazole_Weibull_high dose", "FormulationType": "Formulation_Tablet_Weibull", "Parameters": [ { "Name": "Dissolution time (50% dissolved)", "Value": 105.8071997888, "Unit": "min", "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 2' on 2021-07-13 18:01" } }, { "Name": "Lag time", "Value": 0.0, "Unit": "min" }, { "Name": "Dissolution shape", "Value": 2.1410681544, "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 2' on 2021-07-13 18:01" } }, { "Name": "Use as suspension", "Value": 1.0 } ] }, { "Name": "Fluconazole_Weibull_low dose", "FormulationType": "Formulation_Tablet_Weibull", "Parameters": [ { "Name": "Dissolution time (50% dissolved)", "Value": 33.3965005792, "Unit": "min", "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 2' on 2021-07-13 18:01" } }, { "Name": "Lag time", "Value": 0.0, "Unit": "min" }, { "Name": "Dissolution shape", "Value": 2.1410681544, "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 2' on 2021-07-13 18:01" } }, { "Name": "Use as suspension", "Value": 1.0 } ] }, { "Name": "Fluconazole_Weibull_medium high dose", "FormulationType": "Formulation_Tablet_Weibull", "Parameters": [ { "Name": "Dissolution time (50% dissolved)", "Value": 75.1395611322, "Unit": "min", "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 2' on 2021-07-13 18:01" } }, { "Name": "Lag time", "Value": 0.0, "Unit": "min" }, { "Name": "Dissolution shape", "Value": 2.1410681544, "ValueOrigin": { "Source": "ParameterIdentification", "Method": "ParameterIdentification", "Description": "Value updated from 'Parameter Identification 2' on 2021-07-13 18:01" } }, { "Name": "Use as suspension", "Value": 1.0 } ] } ], "Protocols": [ { "Name": "Shiba_1990_iv_inf_sd_plasma.fluconazole.25.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 25.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 1.0, "Unit": "min" } ] }, { "Name": "Shiba_1990_iv_inf_sd_plasma.fluconazole.50.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 50.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 2.0, "Unit": "min" } ] }, { "Name": "Brammer_1990_iv_inf_sd_plasma.fluconazole.50.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 50.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 2.0, "Unit": "min" } ] }, { "Name": "Ripa_1993_iv_inf_sd_plasma.fluconazole.100.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 100.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 30.0, "Unit": "min" } ] }, { "Name": "Yeates_1994_iv_inf_sd_plasma.fluconazole.100.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 100.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 20.0, "Unit": "min" } ] }, { "Name": "Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 400.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 60.0, "Unit": "min" } ] }, { "Name": "Palkama_1998_fluconazole_midazolam_ddi.fluconazole.400.mg.iv", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Intravenous", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 400.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 60.0, "Unit": "min" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 1.0 }, { "Name": "TimeBetweenRepetitions", "Value": 0.0, "Unit": "h" } ] } ], "TimeUnit": "h" }, { "Name": "Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv", "ApplicationType": "Intravenous", "DosingInterval": "DI_24", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 800.0, "Unit": "mg" }, { "Name": "Infusion time", "Value": 240.0, "Unit": "min" }, { "Name": "End time", "Value": 336.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] }, { "Name": "Shiba_1990_po_sd_plasma.fluconazole.25.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 25.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] }, { "Name": "Shiba_1990_po_sd_plasma.fluconazole.50.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 50.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] }, { "Name": "Shiba_1990_po_sd_plasma.fluconazole.100.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 100.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] }, { "Name": "Brammer_1990_po_sd_plasma.fluconazole.50.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 50.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] }, { "Name": "Thorpe_1990_po_sd_plasma.fluconazole.100.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 100.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 2.05, "Unit": "ml/kg" } ] }, { "Name": "Palkama_1998_fluconazole_midazolam_ddi.fluconazole.400.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 400.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 1.0 }, { "Name": "TimeBetweenRepetitions", "Value": 0.0, "Unit": "h" } ] } ], "TimeUnit": "h" }, { "Name": "Brammer_1990_po_md_plasma.fluconazole.200.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 200.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 14.0, "ValueOrigin": { "Source": "Unknown" } }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] } ], "TimeUnit": "h" }, { "Name": "Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 400.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] }, { "Name": "Brammer_1990_po_md_plasma.fluconazole.300.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "day(s)" }, { "Name": "InputDose", "Value": 300.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 14.0, "ValueOrigin": { "Source": "Unknown" } }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] } ], "TimeUnit": "h" }, { "Name": "Brammer_1990_po_md_plasma.fluconazole.400.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 400.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 14.0, "ValueOrigin": { "Source": "Unknown" } }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] } ], "TimeUnit": "h" }, { "Name": "Brammer_1991_po_sd_gc_plasma.fluconazole.50.mg.po", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 50.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] }, { "Name": "Varhe_1996_fluconazole_midazolam_ddi.fluconazole.50.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 50.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 4.0, "ValueOrigin": { "Source": "Unknown" } }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] } ], "TimeUnit": "h" }, { "Name": "Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 100.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 4.0, "ValueOrigin": { "Source": "Unknown" } }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] } ], "TimeUnit": "h" }, { "Name": "Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po", "DosingInterval": "Single", "Schemas": [ { "Name": "Schema 1", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 400.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "NumberOfRepetitions", "Value": 1.0 }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] }, { "Name": "Schema 2", "SchemaItems": [ { "Name": "Schema Item 1", "ApplicationType": "Oral", "FormulationKey": "Formulation", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 200.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ] } ], "Parameters": [ { "Name": "Start time", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "NumberOfRepetitions", "Value": 3.0, "ValueOrigin": { "Source": "Unknown" } }, { "Name": "TimeBetweenRepetitions", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } } ] } ], "TimeUnit": "h" }, { "Name": "Thorpe_1990_po_sd_plasma.fluconazole.100.mg.po_sa", "ApplicationType": "Oral", "DosingInterval": "Single", "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "InputDose", "Value": 100.0, "Unit": "mg" }, { "Name": "Volume of water/body weight", "Value": 2.05, "Unit": "ml/kg" } ] } ], "Simulations": [ { "Name": "Palkama_1998_fluconazole_400mg_iv_train", "Model": "4Comp", "ObservedData": [ "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 12.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Palkama_1998_fluconazole_midazolam_ddi.fluconazole.400.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 60.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Palkama_1998_fluconazole_400mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Palkama_1998_fluconazole_midazolam_ddi.fluconazole.400.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Palkama_1998_fluconazole_400mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nPalkama_1998_fluconazole_400mg_iv_train\n2021-07-14 10:16" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Ripa_1993_fluconazole_100mg_iv_train", "Model": "4Comp", "ObservedData": [ "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 50.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Ripa_1993_iv_inf_sd_plasma.fluconazole.100.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 30.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Ripa_1993_fluconazole_100mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Ripa_1993_iv_inf_sd_plasma.fluconazole.100.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ripa_1993_fluconazole_100mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|Time", "Y": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nRipa_1993_fluconazole_100mg_iv_train\n2021-07-14 10:16" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Shiba_1990_fluconazole_50mg_iv_train", "Model": "4Comp", "ObservedData": [ "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 125.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Shiba_1990_iv_inf_sd_plasma.fluconazole.50.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 2.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Shiba_1990_fluconazole_50mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_50mg_iv_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Shiba_1990_iv_inf_sd_plasma.fluconazole.50.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Fraction", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_iv_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "Dash" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nShiba_1990_fluconazole_50mg_iv_train\n2021-07-14 10:16" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Ahonen_1997_fluconazole_400mg_iv_test", "Model": "4Comp", "ObservedData": [ "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 24.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 60.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Ahonen_1997_fluconazole_400mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ahonen_1997_fluconazole_400mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nAhonen_1997_fluconazole_400mg_iv_test\n2021-07-14 10:14" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Brammer_1990_fluconazole_50mg_iv_test", "Model": "4Comp", "ObservedData": [ "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 100.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Brammer_1990_iv_inf_sd_plasma.fluconazole.50.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 2.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Brammer_1990_fluconazole_50mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Brammer_1990_iv_inf_sd_plasma.fluconazole.50.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_50mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)|Time", "Y": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nBrammer_1990_fluconazole_50mg_iv_test\n2021-07-14 10:14" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Shiba_1990_fluconazole_25mg_iv_test", "Model": "4Comp", "ObservedData": [ "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 125.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Shiba_1990_iv_inf_sd_plasma.fluconazole.25.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 1.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Shiba_1990_fluconazole_25mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_25mg_iv_test|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Shiba_1990_iv_inf_sd_plasma.fluconazole.25.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Fraction", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_iv_test|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "Dash" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nShiba_1990_fluconazole_25mg_iv_test\n2021-07-14 10:14" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Sobue_2004_fluconazole_800mg_iv_test", "Model": "4Comp", "ObservedData": [ "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 375.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_10|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_11|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_12|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_13|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_14|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_2|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_3|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_4|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_5|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_6|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_7|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_8|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" }, { "Path": "Events|Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv|Application_9|ProtocolSchemaItem|Infusion time", "Value": 240.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Sobue_2004_fluconazole_800mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Sobue_2004_iv_inf_md_plasma.fluconazole.800.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Sobue_2004_fluconazole_800mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|Time", "Y": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nSobue_2004_fluconazole_800mg_iv_test\n2021-07-14 10:15" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Yeates_1994_fluconazole_100mg_iv_test", "Model": "4Comp", "ObservedData": [ "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 125.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Yeates_1994_iv_inf_sd_plasma.fluconazole.100.mg.iv|Application_1|ProtocolSchemaItem|Infusion time", "Value": 20.0, "Unit": "min" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Yeates_1994_fluconazole_100mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Yeates_1994_iv_inf_sd_plasma.fluconazole.100.mg.iv" } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Linear", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Yeates_1994_fluconazole_100mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)|Time", "Y": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nYeates_1994_fluconazole_100mg_iv_test\n2021-07-14 10:15" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Ahonen_1997_fluconazole_400mg_po_train", "Model": "4Comp", "ObservedData": [ "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 20.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Ahonen_1997_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Linear", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ahonen_1997_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nAhonen_1997_fluconazole_400mg_po_train\n2021-07-13 18:03" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Brammer_1990_fluconazole_50mg_po_train", "Model": "4Comp", "ObservedData": [ "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 100.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Brammer_1990_po_sd_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Brammer_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Brammer_1990_po_sd_plasma.fluconazole.50.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_low dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 3.36885667, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|Time", "Y": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nBrammer_1990_fluconazole_50mg_po_train\n2021-07-13 18:05" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Brammer_1991_fluconazole_50mg_po_train", "Model": "4Comp", "ObservedData": [ "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 100.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Brammer_1991_po_sd_gc_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Brammer_1991_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Brammer_1991_po_sd_gc_plasma.fluconazole.50.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_low dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1991_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|Time", "Y": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nBrammer_1991_fluconazole_50mg_po_train\n2021-07-13 18:05" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Shiba_1990_fluconazole_50mg_po_train", "Model": "4Comp", "ObservedData": [ "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 125.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Shiba_1990_po_sd_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Shiba_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_50mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Shiba_1990_po_sd_plasma.fluconazole.50.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_low dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Fraction", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "Dash" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nShiba_1990_fluconazole_50mg_po_train\n2021-07-13 18:06" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Shiba_1990_fluconazole_25mg_po_train", "Model": "4Comp", "ObservedData": [ "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 125.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Shiba_1990_po_sd_plasma.fluconazole.25.mg.po|Fluconazole_Weibull_low dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Shiba_1990_fluconazole_25mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_25mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Shiba_1990_po_sd_plasma.fluconazole.25.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_low dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Fraction", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "Dash" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nShiba_1990_fluconazole_25mg_po_train\n2021-07-13 18:05" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Thorpe_1990_fluconazole_100mg_po_train", "Model": "4Comp", "ObservedData": [ "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 150.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Thorpe_1990_po_sd_plasma.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 2.05, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Thorpe_1990_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Thorpe_1990_po_sd_plasma.fluconazole.100.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_medium high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Thorpe_1990_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|Time", "Y": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nThorpe_1990_fluconazole_100mg_po_train\n2021-07-13 18:06" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Varhe_1996_fluconazole_100mg_po_train", "Model": "4Comp", "ObservedData": [ "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 150.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Application_2|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Application_3|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Application_4|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Varhe_1996_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_medium high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 16.6772346, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nVarhe_1996_fluconazole_100mg_po_train\n2021-07-13 18:06" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Varhe_1996_fluconazole_200mg_po_train", "Model": "4Comp", "ObservedData": [ "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 150.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_2|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_3|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_4|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Varhe_1996_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_medium high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 39.86148, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nVarhe_1996_fluconazole_200mg_po_train\n2021-07-13 18:06" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Palkama_1998_fluconazole_400mg_po_test", "Model": "4Comp", "ObservedData": [ "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 12.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Palkama_1998_fluconazole_midazolam_ddi.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Palkama_1998_fluconazole_400mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Palkama_1998_fluconazole_midazolam_ddi.fluconazole.400.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Linear", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Palkama_1998_fluconazole_400mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nPalkama_1998_fluconazole_400mg_po_test\n2021-07-14 10:17" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Shiba_1990_fluconazole_100mg_po_test", "Model": "4Comp", "ObservedData": [ "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 72.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Shiba_1990_po_sd_plasma.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Shiba_1990_fluconazole_100mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Shiba_1990_po_sd_plasma.fluconazole.100.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_medium high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Linear", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_100mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|Time", "Y": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nShiba_1990_fluconazole_100mg_po_test\n2021-07-14 10:19" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Varhe_1996_fluconazole_50mg_po_test", "Model": "4Comp", "ObservedData": [ "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 95.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_2|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_3|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Application_4|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Varhe_1996_fluconazole_50mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Varhe_1996_fluconazole_midazolam_ddi.fluconazole.50.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_low dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Linear", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_50mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "fluconazole_final_JE\nVarhe_1996_fluconazole_50mg_po_test\n2021-07-14 10:21" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Brammer_1990_fluconazole_200mg_po_train", "Model": "4Comp", "ObservedData": [ "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 360.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_10|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_11|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_12|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_13|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_14|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_2|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_3|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_4|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_5|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_6|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_7|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_8|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Application_9|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Brammer_1990_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Brammer_1990_po_md_plasma.fluconazole.200.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_medium high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 29.4856682, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "Fluconazole-Model\nBrammer_1990_fluconazole_200mg_po_train\n2021-08-23 09:35" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Brammer_1990_fluconazole_300mg_po_train", "Model": "4Comp", "ObservedData": [ "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 360.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_10|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_11|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_12|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_13|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_14|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_2|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_3|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_4|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_5|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_6|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_7|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_8|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Application_9|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Brammer_1990_fluconazole_300mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Brammer_1990_po_md_plasma.fluconazole.300.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 43.3947639, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_300mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "Fluconazole-Model\nBrammer_1990_fluconazole_300mg_po_train\n2021-08-23 09:36" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] }, { "Name": "Brammer_1990_fluconazole_400mg_po_train", "Model": "4Comp", "ObservedData": [ "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)" ], "Solver": {}, "OutputSchema": [ { "Parameters": [ { "Name": "Start time", "Value": 0.0, "Unit": "h" }, { "Name": "End time", "Value": 2.0, "Unit": "h" }, { "Name": "Resolution", "Value": 20.0, "Unit": "pts/h" } ] }, { "Parameters": [ { "Name": "Start time", "Value": 2.0, "Unit": "h" }, { "Name": "End time", "Value": 360.0, "Unit": "h", "ValueOrigin": { "Source": "Unknown" } }, { "Name": "Resolution", "Value": 4.0, "Unit": "pts/h" } ] } ], "Parameters": [ { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_1|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_10|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_11|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_12|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_13|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_14|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_2|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_3|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_4|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_5|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_6|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_7|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_8|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" }, { "Path": "Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Application_9|ProtocolSchemaItem|Volume of water/body weight", "Value": 3.5, "Unit": "ml/kg" } ], "OutputSelections": [ "Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)" ], "OutputMappings": [ { "Scaling": "Log", "Path": "Brammer_1990_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)" } ], "Individual": "Standard European Male for DDI", "Compounds": [ { "Name": "Fluconazole", "CalculationMethods": [ "Cellular partition coefficient method - Rodgers and Rowland", "Cellular permeability - PK-Sim Standard" ], "Alternatives": [ { "AlternativeName": "Measurement_Specific_Intestinal_Permeability_GastroPlus", "GroupName": "COMPOUND_INTESTINAL_PERMEABILITY" } ], "Processes": [ { "MoleculeName": "CYP3A4" }, { "MoleculeName": "AADAC" }, { "MoleculeName": "CYP3A5" }, { "MoleculeName": "CYP2C9" }, { "MoleculeName": "CYP1A2" }, { "Name": "UGT2B7-Watt2018", "MoleculeName": "UGT2B7" }, { "Name": "Glomerular Filtration-Watt2018", "SystemicProcessType": "GFR" } ], "Protocol": { "Name": "Brammer_1990_po_md_plasma.fluconazole.400.mg.po", "Formulations": [ { "Name": "Fluconazole_Weibull_high dose", "Key": "Formulation" } ] } } ], "HasResults": true, "IndividualAnalyses": [ { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 57.8593254, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Time Profile Analysis", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" }, "OriginText": "Fluconazole-Model\nBrammer_1990_fluconazole_400mg_po_train\n2021-08-23 09:36" } ], "Interactions": [ { "Name": "CYP3A4-Sakaeda2005", "MoleculeName": "CYP3A4", "CompoundName": "Fluconazole" } ] } ], "ParameterIdentifications": [ { "Name": "Parameter Identification 1 - IV", "Simulations": [ "Palkama_1998_fluconazole_400mg_iv_train", "Ripa_1993_fluconazole_100mg_iv_train", "Shiba_1990_fluconazole_50mg_iv_train" ], "Configuration": { "LLOQMode": "OnlyObservedData", "RemoveLLOQMode": "NoTrailing", "CalculateJacobian": true, "Algorithm": { "Name": "Monte - Carlo", "Properties": [ { "Name": "BreakCondition", "Value": 0.001, "Type": "Double" }, { "Name": "InitialAlpha", "Value": 30.0, "Type": "Double" }, { "Name": "MaxIterations", "Value": 1000.0, "Type": "Double" } ] } }, "OutputMappings": [ { "Scaling": "Log", "Path": "Shiba_1990_fluconazole_50mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_50mg_iv_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)" }, { "Scaling": "Log", "Path": "Palkama_1998_fluconazole_400mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)" }, { "Scaling": "Log", "Path": "Ripa_1993_fluconazole_100mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)" } ], "IdentificationParameters": [ { "Name": "GFR fraction", "Scaling": "Linear", "LinkedParameters": [ "Shiba_1990_fluconazole_50mg_iv_train|Neighborhoods|Kidney_pls_Kidney_ur|Fluconazole|Glomerular Filtration-Watt2018-Fluconazole|GFR fraction", "Palkama_1998_fluconazole_400mg_iv_train|Neighborhoods|Kidney_pls_Kidney_ur|Fluconazole|Glomerular Filtration-Watt2018-Fluconazole|GFR fraction", "Ripa_1993_fluconazole_100mg_iv_train|Neighborhoods|Kidney_pls_Kidney_ur|Fluconazole|Glomerular Filtration-Watt2018-Fluconazole|GFR fraction" ], "Parameters": [ { "Name": "Start value", "Value": 0.14123 }, { "Name": "MinValue", "Value": 0.01 }, { "Name": "MaxValue", "Value": 1.0 } ] }, { "Name": "Lipophilicity", "Scaling": "Linear", "LinkedParameters": [ "Shiba_1990_fluconazole_50mg_iv_train|Fluconazole|Lipophilicity", "Palkama_1998_fluconazole_400mg_iv_train|Fluconazole|Lipophilicity", "Ripa_1993_fluconazole_100mg_iv_train|Fluconazole|Lipophilicity" ], "Parameters": [ { "Name": "Start value", "Value": 0.89993, "Unit": "Log Units" }, { "Name": "MinValue", "Value": -1.0, "Unit": "Log Units" }, { "Name": "MaxValue", "Value": 3.0, "Unit": "Log Units" } ] }, { "Name": "Specific clearance", "Scaling": "Linear", "LinkedParameters": [ "Shiba_1990_fluconazole_50mg_iv_train|Fluconazole-UGT2B7-Watt2018|Specific clearance", "Palkama_1998_fluconazole_400mg_iv_train|Fluconazole-UGT2B7-Watt2018|Specific clearance", "Ripa_1993_fluconazole_100mg_iv_train|Fluconazole-UGT2B7-Watt2018|Specific clearance" ], "Parameters": [ { "Name": "Start value", "Value": 0.0015831, "Unit": "1/min" }, { "Name": "MinValue", "Value": 1E-05, "Unit": "1/min" }, { "Name": "MaxValue", "Value": 0.15831, "Unit": "1/min" } ] } ], "Analyses": [ { "Name": "Time Profile", "Type": "ParameterIdentificationTimeProfileChart", "Chart": { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "mg/l", "Dimension": "Concentration (mass)", "Type": "Y", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Fraction", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF0000", "LegendIndex": 1, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "VisibleInLegend": false, "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|Time", "Y": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Palkama_1998_fluconazole_400mg_iv_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Palkama_1998_fluconazole_400mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#008000", "LegendIndex": 5 } }, { "Name": "Ripa_1993_fluconazole_100mg_iv_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ripa_1993_fluconazole_100mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF00FF", "LegendIndex": 6 } }, { "Name": "Shiba_1990_fluconazole_50mg_iv_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 7 } }, { "Name": "Shiba_1990_fluconazole_50mg_iv_train-Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_iv_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#0000FF", "LegendIndex": 8, "LineStyle": "Dash" } } ], "Name": "Time Profile", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" } } } ] }, { "Name": "Parameter Identification 2 - ORAL", "Simulations": [ "Ahonen_1997_fluconazole_400mg_po_train", "Brammer_1990_fluconazole_50mg_po_train", "Brammer_1991_fluconazole_50mg_po_train", "Shiba_1990_fluconazole_25mg_po_train", "Shiba_1990_fluconazole_50mg_po_train", "Thorpe_1990_fluconazole_100mg_po_train", "Varhe_1996_fluconazole_100mg_po_train", "Varhe_1996_fluconazole_200mg_po_train", "Brammer_1990_fluconazole_200mg_po_train", "Brammer_1990_fluconazole_300mg_po_train", "Brammer_1990_fluconazole_400mg_po_train" ], "Configuration": { "LLOQMode": "OnlyObservedData", "RemoveLLOQMode": "NoTrailing", "CalculateJacobian": true, "Algorithm": { "Name": "Monte - Carlo", "Properties": [ { "Name": "BreakCondition", "Value": 0.001, "Type": "Double" }, { "Name": "InitialAlpha", "Value": 30.0, "Type": "Double" }, { "Name": "MaxIterations", "Value": 1000.0, "Type": "Double" } ] } }, "OutputMappings": [ { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_50mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Ahonen_1997_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)" }, { "Scaling": "Linear", "Path": "Brammer_1990_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)" }, { "Scaling": "Linear", "Path": "Brammer_1990_fluconazole_300mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)" }, { "Scaling": "Linear", "Path": "Brammer_1990_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)" }, { "Scaling": "Linear", "Path": "Brammer_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)" }, { "Scaling": "Linear", "Path": "Brammer_1991_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_25mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Shiba_1990_fluconazole_25mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "ObservedData": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Thorpe_1990_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)" }, { "Scaling": "Linear", "Path": "Varhe_1996_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)" }, { "Scaling": "Linear", "Path": "Varhe_1996_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "ObservedData": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)" } ], "IdentificationParameters": [ { "Name": "Dissolution shape", "Scaling": "Linear", "LinkedParameters": [ "Ahonen_1997_fluconazole_400mg_po_train|Events|Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Dissolution shape", "Brammer_1990_fluconazole_200mg_po_train|Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Dissolution shape", "Brammer_1990_fluconazole_300mg_po_train|Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Dissolution shape", "Brammer_1990_fluconazole_400mg_po_train|Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Dissolution shape", "Brammer_1990_fluconazole_50mg_po_train|Events|Brammer_1990_po_sd_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Dissolution shape", "Brammer_1991_fluconazole_50mg_po_train|Events|Brammer_1991_po_sd_gc_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Dissolution shape", "Shiba_1990_fluconazole_25mg_po_train|Events|Shiba_1990_po_sd_plasma.fluconazole.25.mg.po|Fluconazole_Weibull_low dose|Dissolution shape", "Shiba_1990_fluconazole_50mg_po_train|Events|Shiba_1990_po_sd_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Dissolution shape", "Thorpe_1990_fluconazole_100mg_po_train|Events|Thorpe_1990_po_sd_plasma.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Dissolution shape", "Varhe_1996_fluconazole_100mg_po_train|Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Dissolution shape", "Varhe_1996_fluconazole_200mg_po_train|Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Dissolution shape" ], "Parameters": [ { "Name": "Start value", "Value": 1.99 }, { "Name": "MinValue", "Value": 0.1 }, { "Name": "MaxValue", "Value": 10.0 } ] }, { "Name": "Dissolution time high dose (50% dissolved)", "Scaling": "Linear", "LinkedParameters": [ "Ahonen_1997_fluconazole_400mg_po_train|Events|Ahonen_1997_fluconazole_midazolam_ddi.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Dissolution time (50% dissolved)", "Brammer_1990_fluconazole_300mg_po_train|Events|Brammer_1990_po_md_plasma.fluconazole.300.mg.po|Fluconazole_Weibull_high dose|Dissolution time (50% dissolved)", "Brammer_1990_fluconazole_400mg_po_train|Events|Brammer_1990_po_md_plasma.fluconazole.400.mg.po|Fluconazole_Weibull_high dose|Dissolution time (50% dissolved)" ], "Parameters": [ { "Name": "Start value", "Value": 100.83, "Unit": "min" }, { "Name": "MinValue", "Value": 1.0, "Unit": "min" }, { "Name": "MaxValue", "Value": 300.0, "Unit": "min" } ] }, { "Name": "Dissolution time medium high dose (50% dissolved)", "Scaling": "Linear", "LinkedParameters": [ "Brammer_1990_fluconazole_200mg_po_train|Events|Brammer_1990_po_md_plasma.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Dissolution time (50% dissolved)", "Thorpe_1990_fluconazole_100mg_po_train|Events|Thorpe_1990_po_sd_plasma.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Dissolution time (50% dissolved)", "Varhe_1996_fluconazole_100mg_po_train|Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.100.mg.po|Fluconazole_Weibull_medium high dose|Dissolution time (50% dissolved)", "Varhe_1996_fluconazole_200mg_po_train|Events|Varhe_1996_fluconazole_midazolam_ddi.fluconazole.200.mg.po|Fluconazole_Weibull_medium high dose|Dissolution time (50% dissolved)" ], "Parameters": [ { "Name": "Start value", "Value": 52.54, "Unit": "min" }, { "Name": "MinValue", "Value": 1.0, "Unit": "min" }, { "Name": "MaxValue", "Value": 179.6483, "Unit": "min" } ] }, { "Name": "Dissolution time low dose (50% dissolved)", "Scaling": "Linear", "LinkedParameters": [ "Brammer_1990_fluconazole_50mg_po_train|Events|Brammer_1990_po_sd_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Dissolution time (50% dissolved)", "Brammer_1991_fluconazole_50mg_po_train|Events|Brammer_1991_po_sd_gc_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Dissolution time (50% dissolved)", "Shiba_1990_fluconazole_25mg_po_train|Events|Shiba_1990_po_sd_plasma.fluconazole.25.mg.po|Fluconazole_Weibull_low dose|Dissolution time (50% dissolved)", "Shiba_1990_fluconazole_50mg_po_train|Events|Shiba_1990_po_sd_plasma.fluconazole.50.mg.po|Fluconazole_Weibull_low dose|Dissolution time (50% dissolved)" ], "Parameters": [ { "Name": "Start value", "Value": 31.4, "Unit": "min" }, { "Name": "MinValue", "Value": 1.0, "Unit": "min" }, { "Name": "MaxValue", "Value": 179.6483, "Unit": "min" } ] } ], "Analyses": [ { "Name": "Time Profile", "Type": "ParameterIdentificationTimeProfileChart", "Chart": { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "Min": -15.96241, "Max": 104.2597, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (mass)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1330466, "Max": 61.24273, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Fraction", "Type": "Y2", "GridLines": false, "Visible": true, "Min": 0.00170409, "Max": 0.7844191, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF0000", "LegendIndex": 1, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "VisibleInLegend": false, "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF8000", "LegendIndex": 5, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#00C0C0", "LegendIndex": 6, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|Time", "Y": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#C000C0", "LegendIndex": 7, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|Time", "Y": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#C04000", "LegendIndex": 8, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#00FF00", "LegendIndex": 9, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)-Fluconazole-Kidney-Urine-ArithmeticMean", "X": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean", "CurveOptions": { "yAxisType": "Y2", "VisibleInLegend": false, "Color": "#808080", "LegendIndex": 10, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|Time", "Y": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#C0C000", "LegendIndex": 11, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#8080FF", "LegendIndex": 12, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)-Fluconazole-Peripheral Venous Blood-Plasma-ArithmeticMean", "X": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "VisibleInLegend": false, "Color": "#0000C0", "LegendIndex": 13, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba_1990_fluconazole_50mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 14 } }, { "Name": "Shiba_1990_fluconazole_50mg_po_train-Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#0000FF", "LegendIndex": 15, "LineStyle": "Dash" } }, { "Name": "Ahonen_1997_fluconazole_400mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ahonen_1997_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#008000", "LegendIndex": 16 } }, { "Name": "Varhe_1996_fluconazole_100mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#8080FF", "LegendIndex": 17 } }, { "Name": "Brammer_1991_fluconazole_50mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1991_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#C04000", "LegendIndex": 18 } }, { "Name": "Brammer_1990_fluconazole_50mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#C000C0", "LegendIndex": 19 } }, { "Name": "Shiba_1990_fluconazole_25mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#00FF00", "LegendIndex": 20 } }, { "Name": "Shiba_1990_fluconazole_25mg_po_train-Fluconazole-Kidney-Urine-Fraction excreted to urine", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_po_train|Organism|Kidney|Urine|Fluconazole|Fraction excreted to urine", "CurveOptions": { "yAxisType": "Y2", "Color": "#808080", "LegendIndex": 21, "LineStyle": "Dash" } }, { "Name": "Thorpe_1990_fluconazole_100mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Thorpe_1990_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#C0C000", "LegendIndex": 22 } }, { "Name": "Varhe_1996_fluconazole_200mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#0000C0", "LegendIndex": 23 } }, { "Name": "Brammer_1990_fluconazole_200mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF00FF", "LegendIndex": 24 } }, { "Name": "Brammer_1990_fluconazole_400mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#00C0C0", "LegendIndex": 25 } }, { "Name": "Brammer_1990_fluconazole_300mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_300mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "Color": "#FF8000", "LegendIndex": 26 } } ], "Name": "Time Profile", "FontAndSize": { "Fonts": { "AxisSize": 10, "LegendSize": 8, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" } } }, { "Name": "Correlation Matrix", "Type": "ParameterIdentificationCorrelationMatrix" }, { "Name": "Covariance Matrix", "Type": "ParameterIdentificationCovarianceMatrix" } ] } ], "ObservedData": [ { "Name": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1386.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Brammer 1991", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/1680653/", "Type": "String" }, { "Name": "Source", "Value": "Table 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole 50 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 3.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.19, 0.05, 0.02, 0.08, 0.02, 0.02, 0.05, 0.02, 0.04 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 1.13, 1.0, 0.979999959, 0.88, 0.76, 0.7, 0.37, 0.18, 0.11 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 1.0, 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0, 96.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1384.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Sobue 2004", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/15206988/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v.", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 18.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "800 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72-96-120-144-180-192-216-240-264-288-312", "Type": "String" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 3.03875971, 3.41085267, 4.52713156, 4.27907, 4.77519369, 4.96124029, 5.45736456, 5.023256, 5.95348835, 5.20930243, 5.271318, 5.271318, 5.51937962, 5.891473, 4.27907, 5.023256 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 19.8, 21.0, 22.8, 23.4, 25.8, 27.0, 27.9, 29.5, 33.0, 31.2, 29.1, 28.7, 27.7, 25.9, 23.4, 20.7 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 312.0, 312.421, 312.674, 312.968, 313.47, 313.94, 314.42, 314.98996, 315.94, 316.97, 317.98, 319.96, 321.96, 323.9, 327.9, 336.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1385.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Yeates 1994", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/7946940/", "Type": "String" }, { "Name": "Source", "Value": "Fig 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v. healthy", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 10.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "100 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 2.72, 1.99000013, 1.83, 1.7, 1.58, 1.56, 1.54, 1.5, 1.47, 1.35, 1.29, 1.16, 0.935, 0.702, 0.594, 0.347, 0.218, 0.127 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.318, 0.42, 0.574, 0.824, 1.13, 1.32, 1.82, 2.32, 3.37, 4.34000063, 6.36, 12.0, 24.0, 36.0, 48.0, 72.0, 96.0, 120.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1390.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Varhe 1996", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/8904618/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole 200 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "200 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72", "Type": "String" }, { "Name": "Formulation", "Value": "Diflucan", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 1.26646, 2.11076641, 2.026336, 2.026336, 2.11076641, 2.026336, 2.11076641, 1.68861318, 1.6041826, 2.195197, 1.6041826 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 6.33, 9.76, 10.1, 10.1, 10.1, 10.1, 10.0, 9.67, 9.58, 9.4, 7.69999933 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 73.0, 73.493, 74.04, 74.54, 75.03, 76.04, 76.94001, 77.99, 79.05999, 79.96, 91.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1387.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Thorpe 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2291673/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral without antacida", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 14.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "100 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33, "LLOQ": 1E-07 }, "Values": [ 0.527, 0.76, 1.11, 1.32, 1.65, 1.65, 1.54, 1.41, 1.17, 0.918, 0.742, 0.464, 0.287, 0.182, 0.119 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 1.16, 1.48, 2.08, 2.4, 4.18, 6.1, 8.45, 12.0, 24.1, 35.5, 48.1, 72.3, 95.9, 120.0, 144.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1388.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Varhe 1996", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/8904618/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole 50 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72", "Type": "String" }, { "Name": "Formulation", "Value": "Diflucan", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 1.22, 2.06, 2.06, 2.18, 2.12, 2.12, 2.06, 1.97, 1.91000009, 1.85, 1.49 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 73.0, 73.493, 74.01, 74.54, 75.05999, 75.96, 77.03, 77.99, 79.0, 79.96, 91.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1389.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Varhe 1996", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/8904618/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole 100 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "100 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72", "Type": "String" }, { "Name": "Formulation", "Value": "Diflucan", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.0, 1.18202925, 1.013168, 0.9287373, 0.0, 0.0, 0.8443066, 0.675445259, 0.0, 0.0, 0.0 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 2.42, 3.73, 4.09, 4.18, 4.15, 4.15, 4.18, 4.09, 3.87999988, 3.82000017, 3.13 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 73.0, 73.551, 74.04, 74.57, 75.0, 75.96, 77.03, 77.96, 79.0, 79.99, 91.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1381.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral 25 mg urine", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Kidney", "Type": "String" }, { "Name": "Compartment", "Value": "Urine", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "25 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 1.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.00565685472, 0.008485282, 0.0113137094, 0.0169705637, 0.0311126988, 0.053740114, 0.0509116873, 0.04808326, 0.04808326 ], "Dimension": "Fraction" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.031, 0.064, 0.111999996, 0.161, 0.277, 0.45599997, 0.574, 0.65, 0.693 ], "Dimension": "Fraction" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0, 96.0, 120.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1382.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral 50 mg urine", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Kidney", "Type": "String" }, { "Name": "Compartment", "Value": "Urine", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 2.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.008485282, 0.0141421352, 0.0226274189, 0.0226274189, 0.05656854, 0.0678822547, 0.07636753, 0.07353911, 0.07071068 ], "Dimension": "Fraction" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.021, 0.048, 0.0969999954, 0.145, 0.268, 0.447, 0.567000031, 0.628, 0.665 ], "Dimension": "Fraction" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0, 96.0, 120.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole oral 100 mg urine - Fluconazole - PO - 100 mg - Urine - agg. (n=6)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1383.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral 100 mg urine", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 6.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Kidney", "Type": "String" }, { "Name": "Compartment", "Value": "Urine", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "100 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 3.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 100 mg urine - Fluconazole - PO - 100 mg - Urine - agg. (n=6)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.0146969389, 0.0195959173, 0.0195959173, 0.0220454074, 0.0587877557, 0.0612372458, 0.0514392853, 0.05633826, 0.0416413248 ], "Dimension": "Fraction" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 100 mg urine - Fluconazole - PO - 100 mg - Urine - agg. (n=6)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.031, 0.064, 0.12, 0.197000012, 0.325, 0.513, 0.64199996, 0.715999961, 0.751 ], "Dimension": "Fraction" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 100 mg urine - Fluconazole - PO - 100 mg - Urine - agg. (n=6)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0, 96.0, 120.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1379.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral 50 mg", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.169705629, 0.254558444, 0.0848528147, 0.05656854, 0.05656854, 0.0282842722, 0.0282842722, 0.05656854, 0.05656854, 0.05656854 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.23, 0.76, 0.84, 0.82, 0.75, 0.68, 0.6, 0.47, 0.26, 0.17 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.5, 1.0, 1.5, 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1380.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral 100 mg", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 6.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "100 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.8083316, 0.220454082, 0.220454082, 0.122474492, 0.146969378, 0.09797959, 0.09797959, 0.0489897951, 0.07348469, 0.09797959 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 1.15, 1.66, 1.87, 1.79, 1.72, 1.47, 1.32, 1.04, 0.66, 0.44 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.5, 1.0, 1.5, 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1378.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral 25 mg", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "25 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.141421363, 0.05656854, 0.05656854, 0.0282842722, 0.05656854, 0.0282842722, 0.0282842722, 0.0282842722, 0.0282842722, 0.0 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.48999998, 0.47, 0.44, 0.43, 0.4, 0.35, 0.32, 0.25, 0.16, 0.1 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.5, 1.0, 1.5, 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1377.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v. 50 mg urine", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Kidney", "Type": "String" }, { "Name": "Compartment", "Value": "Urine", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.00565685472, 0.0141421352, 0.0169705637, 0.0226274189, 0.0339411274, 0.0424264036, 0.0424264036, 0.036769554, 0.0311126988 ], "Dimension": "Fraction" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.023, 0.046, 0.096, 0.159, 0.283, 0.498, 0.612, 0.677, 0.718000054 ], "Dimension": "Fraction" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0, 96.0, 120.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1376.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v. 25 mg urine", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Kidney", "Type": "String" }, { "Name": "Compartment", "Value": "Urine", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "25 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.008485282, 0.0197989885, 0.02828427, 0.0339411274, 0.0509116873, 0.04808326, 0.04808326, 0.06505383, 0.0678822547 ], "Dimension": "Fraction" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)|ObservedData|Kidney|Urine|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.034, 0.071, 0.129, 0.199, 0.31, 0.479, 0.593, 0.686, 0.744 ], "Dimension": "Fraction" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0, 96.0, 120.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1375.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v. 50 mg", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.282842726, 0.169705629, 0.0848528147, 0.05656854, 0.0848528147, 0.0848528147, 0.0848528147, 0.0848528147, 0.0848528147, 0.0848528147, 0.05656854, 0.05656854 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 1.33, 1.15, 1.01, 0.96, 0.95, 0.91, 0.87, 0.77, 0.71, 0.55, 0.32, 0.19 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.1, 0.25, 0.5, 1.0, 1.5, 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1374.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Shiba 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2379224/", "Type": "String" }, { "Name": "Source", "Value": "Table 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v. 25 mg", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 8.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "25 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.226274177, 0.226274177, 0.141421363, 0.0848528147, 0.05656854, 0.0282842722, 0.05656854, 0.0282842722, 0.0282842722, 0.0282842722, 0.0282842722, 0.0282842722 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.76, 0.69, 0.58, 0.54, 0.51, 0.48, 0.45, 0.4, 0.35, 0.27, 0.15, 0.09 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.1, 0.25, 0.5, 1.0, 1.5, 2.0, 4.0, 8.0, 12.0, 24.0, 48.0, 72.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1373.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Ripa 1993", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/8444063/", "Type": "String" }, { "Name": "Source", "Value": "Results", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v.", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 6.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "100 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 0.51, 0.36, 0.23, 0.16, 0.1 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 2.86, 2.27, 1.61, 1.06, 0.6 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.5, 2.0, 8.0, 24.0, 48.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1372.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Palkama 1998", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/9661572/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 9.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "400 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "oral 400 mg fluconazole (Diflucan)", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 1.99679875, 1.64190042, 1.668637, 1.42073476, 1.50346518, 1.658617, 1.54488075, 1.5767622, 1.45666552, 1.70567083, 1.29675376, 1.34159732, 1.26609242, 1.20834613 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 4.45, 5.91, 6.25, 6.39, 6.76, 7.1, 7.32, 7.09, 6.9, 6.66, 6.49, 6.36, 5.99, 6.05 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 1.0, 1.204, 1.459, 1.969, 2.48, 2.99, 3.98, 4.95, 5.97, 6.97, 7.99, 8.98, 10.01, 11.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1371.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Palkama 1998", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/9661572/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 9.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "400 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": "Arith. SEM converted to arith. SD", "Type": "String" } ], "Columns": [ { "Name": "Avg", "RelatedColumns": [ { "Name": "Var", "QuantityInfo": { "Path": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticStdDev" }, "DataInfo": { "Origin": "ObservationAuxiliary", "AuxiliaryType": "ArithmeticStdDev", "MolWeight": 306.33 }, "Values": [ 1.59202516, 2.0624218, 1.84412289, 1.79849327, 1.62661636, 2.146756, 1.62803853, 1.60464358, 1.58854854, 1.44475579, 1.50594318, 1.284643, 1.137337, 1.02175879 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "QuantityInfo": { "Path": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 7.001333, 8.14, 8.11, 7.92, 8.08, 8.06, 8.1, 7.51, 7.43, 7.2, 7.03, 6.82, 6.47, 6.28 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 1.0, 1.23, 1.459, 1.944, 2.45, 3.02, 3.98, 5.03, 5.97, 6.99, 7.96, 8.88, 9.9, 10.9 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1370.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Brammer 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2184510/", "Type": "String" }, { "Name": "Source", "Value": "Fig 4", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole MD 400 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 15.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "400 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72-96-120-144-180-192-216-240-264-288-312", "Type": "String" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 3.98000026, 7.15, 8.41, 9.64, 10.1, 10.9, 11.0, 11.0, 11.7, 11.6, 11.3, 11.6, 11.1, 11.9 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 24.72, 49.2, 74.4, 96.96, 118.8, 143.04, 168.0, 192.24, 216.0, 237.6, 264.0, 288.0, 312.0, 336.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1369.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Brammer 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2184510/", "Type": "String" }, { "Name": "Source", "Value": "Fig 4", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole MD 300 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 15.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "300 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72-96-120-144-180-192-216-240-264-288-312", "Type": "String" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 3.41, 5.78, 7.16, 8.21, 8.3, 8.81, 9.41, 9.41, 9.41, 9.48, 9.72, 9.9, 9.99, 9.96 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 23.52, 48.720005, 72.24, 96.0, 120.72, 143.76, 168.0, 191.76, 216.0, 240.0, 264.0, 285.6, 312.0, 336.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1368.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Brammer 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2184510/", "Type": "String" }, { "Name": "Source", "Value": "Fig 4", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole MD 200 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 15.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "200 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": "0-24-48-72-96-120-144-180-192-216-240-264-288-312", "Type": "String" }, { "Name": "Formulation", "Value": "capsules", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 2.43, 3.95, 4.52, 5.09, 5.28, 5.4, 5.34, 5.73, 5.61, 5.59, 5.62, 5.77, 5.68, 5.42 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 24.24, 48.96, 72.0, 95.76, 119.52, 143.04, 168.72, 191.76, 215.52, 240.0, 264.0, 288.0, 312.0, 336.0 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1367.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Brammer 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2184510/", "Type": "String" }, { "Name": "Source", "Value": "Fig 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole SD 50 mg oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 12.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 0.43, 0.765, 0.822, 0.779, 0.742, 0.657, 0.62, 0.533, 0.425, 0.3, 0.237, 0.148, 0.0915 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.172, 1.28, 2.02, 2.94, 4.16, 6.0, 7.83, 11.9, 23.9, 36.0, 48.6, 71.2, 96.7 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1366.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Brammer 1990", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/2184510/", "Type": "String" }, { "Name": "Source", "Value": "Fig 2", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v.", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 12.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "50 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": ".", "Type": "String" }, { "Name": "Food state", "Value": ".", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 1.19, 0.955000043, 0.906, 0.866, 0.815, 0.721, 0.707, 0.596, 0.467, 0.326, 0.268, 0.171, 0.103 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.696999967, 1.53, 2.14, 3.06, 4.29, 5.98, 7.95, 11.8, 23.9, 36.0, 48.4, 71.2, 96.9 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1365.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Ahonen 1997", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/9049584/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole oral", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 9.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "PO", "Type": "String" }, { "Name": "Dose", "Value": "400 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "oral 400 mg fluconazole (Diflucan)", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 4.36, 7.09, 7.26, 7.56, 7.7699995, 7.79000044, 7.6, 7.39, 7.11, 7.03, 5.6 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 1.01, 1.52, 2.03, 2.53, 3.06, 4.03, 4.99, 6.06, 7.06, 8.1, 18.1 ], "Dimension": "Time", "Unit": "h" } }, { "Name": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)", "ExtendedProperties": [ { "Name": "DB Version", "Value": "OSP DATABASE", "Type": "String" }, { "Name": "ID", "Value": 1364.0, "Type": "Double" }, { "Name": "Study Id", "Value": "Ahonen 1997", "Type": "String" }, { "Name": "Reference", "Value": "https://pubmed.ncbi.nlm.nih.gov/9049584/", "Type": "String" }, { "Name": "Source", "Value": "Fig 1", "Type": "String" }, { "Name": "Grouping", "Value": "Fluconazole i.v.", "Type": "String" }, { "Name": "Data type", "Value": "aggregated", "Type": "String" }, { "Name": "N", "Value": 9.0, "Type": "Double" }, { "Name": "Molecule", "Value": "Fluconazole", "Type": "String" }, { "Name": "Species", "Value": "Human", "Type": "String" }, { "Name": "Organ", "Value": "Peripheral Venous Blood", "Type": "String" }, { "Name": "Compartment", "Value": "Plasma", "Type": "String" }, { "Name": "Route", "Value": "IV", "Type": "String" }, { "Name": "Dose", "Value": "400 mg", "Type": "String" }, { "Name": "Times of Administration [h]", "Value": 0.0, "Type": "Double" }, { "Name": "Formulation", "Value": "intravenous solution (Diflucan)", "Type": "String" }, { "Name": "Food state", "Value": "Fasted", "Type": "String" }, { "Name": "Comment", "Value": ".", "Type": "String" } ], "Columns": [ { "Name": "Avg", "QuantityInfo": { "Path": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean" }, "DataInfo": { "Origin": "Observation", "AuxiliaryType": "Undefined", "MolWeight": 306.33 }, "Values": [ 8.19, 8.19, 7.92, 7.85, 7.79000044, 7.68999958, 7.45, 7.14, 6.96, 6.52, 5.47 ], "Dimension": "Concentration (mass)", "Unit": "mg/l" } ], "BaseGrid": { "Name": "Time", "QuantityInfo": { "Path": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 1.03, 1.57, 2.03, 2.56, 3.06, 4.06, 5.03, 6.02, 7.06, 8.06, 18.1 ], "Dimension": "Time", "Unit": "h" } } ], "SimulationComparisons": [ { "Name": "Simulation Comparison 1", "Simulations": [ "Palkama_1998_fluconazole_400mg_iv_train", "Ripa_1993_fluconazole_100mg_iv_train", "Shiba_1990_fluconazole_50mg_iv_train" ], "IndividualComparison": { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "Min": 0.05, "Max": 75.0, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.5, "Max": 33.31948, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Dimensionless", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Palkama_1998", "X": "Time", "Y": "Palkama_1998_fluconazole_400mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#0000FF", "LegendIndex": 1 } }, { "Name": "Ripa_1993", "X": "Time", "Y": "Ripa_1993_fluconazole_100mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#008000", "LegendIndex": 1 } }, { "Name": "Shiba_1990", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_iv_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#F79646", "LegendIndex": 1 } }, { "Name": "Palkama 1998 ", "X": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 5, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Ripa 1993 ", "X": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|Time", "Y": "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#008000", "LegendIndex": 6, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990", "X": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#FF8000", "LegendIndex": 7, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Simulation Comparison 1", "FontAndSize": { "Fonts": { "AxisSize": 12, "LegendSize": 12, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" } } }, { "Name": "Simulation Comparison 2", "Simulations": [ "Ahonen_1997_fluconazole_400mg_iv_test", "Brammer_1990_fluconazole_50mg_iv_test", "Shiba_1990_fluconazole_25mg_iv_test", "Sobue_2004_fluconazole_800mg_iv_test", "Yeates_1994_fluconazole_100mg_iv_test" ], "IndividualComparison": { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "Min": 0.05, "Max": 340.0, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.5, "Max": 100.0, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Dimensionless", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Ahonen_1997_fluconazole_400mg_iv_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ahonen_1997_fluconazole_400mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#0000FF", "LegendIndex": 1 } }, { "Name": "Brammer_1990_fluconazole_50mg_iv_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_50mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#008000", "LegendIndex": 1 } }, { "Name": "Shiba_1990_fluconazole_25mg_iv_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF00FF", "LegendIndex": 1 } }, { "Name": "Ahonen 1997", "X": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Sobue_2004_fluconazole_800mg_iv_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Sobue_2004_fluconazole_800mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#F79646", "LegendIndex": 1 } }, { "Name": "Yeates_1994_fluconazole_100mg_iv_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Yeates_1994_fluconazole_100mg_iv_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#4BACC6", "LegendIndex": 1 } }, { "Name": "Brammer 1990", "X": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)|Time", "Y": "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990", "X": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#FF00FF", "LegendIndex": 4, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Sobue 2004 ", "X": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|Time", "Y": "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#FF8000", "LegendIndex": 5, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Yeates 1994 ", "X": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)|Time", "Y": "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#00C0C0", "LegendIndex": 6, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Simulation Comparison 2", "FontAndSize": { "Fonts": { "AxisSize": 12, "LegendSize": 12, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" } } }, { "Name": "Simulation Comparison 3", "Simulations": [ "Ahonen_1997_fluconazole_400mg_po_train", "Brammer_1990_fluconazole_200mg_po_train", "Brammer_1990_fluconazole_300mg_po_train", "Brammer_1990_fluconazole_400mg_po_train", "Brammer_1990_fluconazole_50mg_po_train", "Brammer_1991_fluconazole_50mg_po_train", "Shiba_1990_fluconazole_25mg_po_train", "Shiba_1990_fluconazole_50mg_po_train", "Thorpe_1990_fluconazole_100mg_po_train", "Varhe_1996_fluconazole_100mg_po_train", "Varhe_1996_fluconazole_200mg_po_train" ], "IndividualComparison": { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 0.1, "Max": 57.85933, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" }, { "Unit": "", "Dimension": "Dimensionless", "Type": "Y2", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Dash", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Ahonen_1997_fluconazole_400mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Ahonen_1997_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#0000FF", "LegendIndex": 1 } }, { "Name": "Brammer_1990_fluconazole_200mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#008000", "LegendIndex": 1 } }, { "Name": "Brammer_1990_fluconazole_300mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_300mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#F79646", "LegendIndex": 1 } }, { "Name": "Brammer_1990_fluconazole_400mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_400mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#4BACC6", "LegendIndex": 1 } }, { "Name": "Brammer_1990_fluconazole_50mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#C000C0", "LegendIndex": 1 } }, { "Name": "Brammer_1991_fluconazole_50mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Brammer_1991_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#804040", "LegendIndex": 1 } }, { "Name": "Shiba_1990_fluconazole_25mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_25mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#7F7F7F", "LegendIndex": 1 } }, { "Name": "Brammer 1990", "X": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#008000", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba_1990_fluconazole_50mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_50mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#00FF00", "LegendIndex": 1 } }, { "Name": "Ahonen 1997 ", "X": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Thorpe_1990_fluconazole_100mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Thorpe_1990_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF0000", "LegendIndex": 1 } }, { "Name": "Varhe_1996_fluconazole_100mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_100mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#C0C000", "LegendIndex": 1 } }, { "Name": "Varhe_1996_fluconazole_200mg_po_train-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_200mg_po_train|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#8080FF", "LegendIndex": 1 } }, { "Name": "Brammer 1990", "X": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#F79646", "LegendIndex": 4, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1990 ", "X": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|Time", "Y": "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#4BACC6", "LegendIndex": 5, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1990 ", "X": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|Time", "Y": "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#C000C0", "LegendIndex": 6, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Brammer 1991", "X": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|Time", "Y": "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#C00000", "LegendIndex": 7, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 ", "X": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#7F7F7F", "LegendIndex": 8, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990 ", "X": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#00FF00", "LegendIndex": 9, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Thorpe 1990 ", "X": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|Time", "Y": "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#FF0000", "LegendIndex": 10, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Varhe 1996 ", "X": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#C0C000", "LegendIndex": 11, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Varhe 1996 ", "X": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#8080FF", "LegendIndex": 12, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Simulation Comparison 3", "FontAndSize": { "Fonts": { "AxisSize": 12, "LegendSize": 12, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" } } }, { "Name": "Simulation Comparison 4", "Simulations": [ "Palkama_1998_fluconazole_400mg_po_test", "Shiba_1990_fluconazole_100mg_po_test", "Varhe_1996_fluconazole_50mg_po_test" ], "IndividualComparison": { "Axes": [ { "Unit": "h", "Dimension": "Time", "Type": "X", "GridLines": false, "Visible": true, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "None", "Scaling": "Linear", "NumberMode": "Normal" }, { "Unit": "µmol/l", "Dimension": "Concentration (molar)", "Type": "Y", "GridLines": false, "Visible": true, "Min": 1.0, "Max": 28.93899, "DefaultColor": "#FFFFFF", "DefaultLineStyle": "Solid", "Scaling": "Log", "NumberMode": "Normal" } ], "Curves": [ { "Name": "Palkama_1998_fluconazole_400mg_po_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Palkama_1998_fluconazole_400mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#008000", "LegendIndex": 1 } }, { "Name": "Shiba_1990_fluconazole_100mg_po_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Shiba_1990_fluconazole_100mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#FF00FF", "LegendIndex": 1 } }, { "Name": "Varhe_1996_fluconazole_50mg_po_test-Fluconazole-Peripheral Venous Blood-Plasma-Concentration", "X": "Time", "Y": "Varhe_1996_fluconazole_50mg_po_test|Organism|PeripheralVenousBlood|Fluconazole|Plasma (Peripheral Venous Blood)", "CurveOptions": { "VisibleInLegend": false, "Color": "#0000FF", "LegendIndex": 1 } }, { "Name": "Palkama 1998", "X": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|Time", "Y": "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#008000", "LegendIndex": 2, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Shiba 1990", "X": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|Time", "Y": "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#FF00FF", "LegendIndex": 3, "LineStyle": "None", "Symbol": "Circle" } }, { "Name": "Varhe 1996 ", "X": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|Time", "Y": "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)|ObservedData|Peripheral Venous Blood|Plasma|Fluconazole|ArithmeticMean", "CurveOptions": { "Color": "#0000FF", "LegendIndex": 4, "LineStyle": "None", "Symbol": "Circle" } } ], "Name": "Simulation Comparison 4", "FontAndSize": { "Fonts": { "AxisSize": 12, "LegendSize": 12, "TitleSize": 16, "DescriptionSize": 12, "OriginSize": 8, "FontFamilyName": "Microsoft Sans Serif", "WatermarkSize": 32 } }, "Settings": { "SideMarginsEnabled": true, "LegendPosition": "RightInside", "BackColor": "#00FFFFFF", "DiagramBackColor": "#FFFFFF" } } } ], "ObservedDataClassifications": [ { "Name": "IV", "Classifications": [ { "Name": "Peripheral Venous Blood", "Classifiables": [ "Sobue 2004 - Fluconazole i.v. - Fluconazole - IV - 800 mg - Plasma - agg. (n=18)", "Yeates 1994 - Fluconazole i.v. healthy - Fluconazole - IV - 100 mg - Plasma - agg. (n=10)", "Shiba 1990 - Fluconazole i.v. 50 mg - Fluconazole - IV - 50 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole i.v. 25 mg - Fluconazole - IV - 25 mg - Plasma - agg. (n=8)", "Ripa 1993 - Fluconazole i.v. - Fluconazole - IV - 100 mg - Plasma - agg. (n=6)", "Palkama 1998 - Fluconazole i.v - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)", "Brammer 1990 - Fluconazole i.v. - Fluconazole - IV - 50 mg - Plasma - agg. (n=12)", "Ahonen 1997 - Fluconazole i.v. - Fluconazole - IV - 400 mg - Plasma - agg. (n=9)" ] }, { "Name": "Kidney", "Classifiables": [ "Shiba 1990 - Fluconazole i.v. 50 mg urine - Fluconazole - IV - 50 mg - Urine - agg. (n=8)", "Shiba 1990 - Fluconazole i.v. 25 mg urine - Fluconazole - IV - 25 mg - Urine - agg. (n=8)" ] } ] }, { "Name": "PO", "Classifications": [ { "Name": "Peripheral Venous Blood", "Classifiables": [ "Brammer 1991 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=3)", "Varhe 1996 - Fluconazole 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=8)", "Thorpe 1990 - Fluconazole oral without antacida - Fluconazole - PO - 100 mg - Plasma - agg. (n=14)", "Varhe 1996 - Fluconazole 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)", "Varhe 1996 - Fluconazole 100 mg oral - Fluconazole - PO - 100 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole oral 50 mg - Fluconazole - PO - 50 mg - Plasma - agg. (n=8)", "Shiba 1990 - Fluconazole oral 100 mg - Fluconazole - PO - 100 mg - Plasma - agg. (n=6)", "Shiba 1990 - Fluconazole oral 25 mg - Fluconazole - PO - 25 mg - Plasma - agg. (n=8)", "Palkama 1998 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)", "Brammer 1990 - Fluconazole MD 400 mg oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=15)", "Brammer 1990 - Fluconazole MD 300 mg oral - Fluconazole - PO - 300 mg - Plasma - agg. (n=15)", "Brammer 1990 - Fluconazole MD 200 mg oral - Fluconazole - PO - 200 mg - Plasma - agg. (n=15)", "Brammer 1990 - Fluconazole SD 50 mg oral - Fluconazole - PO - 50 mg - Plasma - agg. (n=12)", "Ahonen 1997 - Fluconazole oral - Fluconazole - PO - 400 mg - Plasma - agg. (n=9)" ] }, { "Name": "Kidney", "Classifiables": [ "Shiba 1990 - Fluconazole oral 25 mg urine - Fluconazole - PO - 25 mg - Urine - agg. (n=8)", "Shiba 1990 - Fluconazole oral 50 mg urine - Fluconazole - PO - 50 mg - Urine - agg. (n=8)", "Shiba 1990 - Fluconazole oral 100 mg urine - Fluconazole - PO - 100 mg - Urine - agg. (n=6)" ] } ] } ], "SimulationClassifications": [ { "Name": "PO", "Classifications": [ { "Name": "train", "Classifiables": [ "Ahonen_1997_fluconazole_400mg_po_train", "Brammer_1990_fluconazole_50mg_po_train", "Brammer_1991_fluconazole_50mg_po_train", "Shiba_1990_fluconazole_50mg_po_train", "Shiba_1990_fluconazole_25mg_po_train", "Thorpe_1990_fluconazole_100mg_po_train", "Varhe_1996_fluconazole_100mg_po_train", "Varhe_1996_fluconazole_200mg_po_train", "Brammer_1990_fluconazole_200mg_po_train", "Brammer_1990_fluconazole_300mg_po_train", "Brammer_1990_fluconazole_400mg_po_train" ] }, { "Name": "test", "Classifiables": [ "Palkama_1998_fluconazole_400mg_po_test", "Shiba_1990_fluconazole_100mg_po_test", "Varhe_1996_fluconazole_50mg_po_test" ] } ] }, { "Name": "IV", "Classifications": [ { "Name": "train", "Classifiables": [ "Palkama_1998_fluconazole_400mg_iv_train", "Ripa_1993_fluconazole_100mg_iv_train", "Shiba_1990_fluconazole_50mg_iv_train" ] }, { "Name": "test", "Classifiables": [ "Ahonen_1997_fluconazole_400mg_iv_test", "Brammer_1990_fluconazole_50mg_iv_test", "Shiba_1990_fluconazole_25mg_iv_test", "Sobue_2004_fluconazole_800mg_iv_test", "Yeates_1994_fluconazole_100mg_iv_test" ] } ] } ] }