{ "Version": 80, "ExpressionProfiles": [ { "Type": "Enzyme", "Species": "Human", "Molecule": "CYP3A4", "Category": "European (P-gp modified, CYP3A4 36 h)", "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": 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"Value": 0.3971631206 }, { "Path": "Organism|LargeIntestine|Mucosa|ColonTransversum|Intracellular|P-gp|Relative expression", "Value": 0.3971631206 }, { "Path": "Organism|Liver|Pericentral|Intracellular|P-gp|Relative expression", "Value": 0.1916810428 }, { "Path": "Organism|Liver|Periportal|Intracellular|P-gp|Relative expression", "Value": 0.1916810428 }, { "Path": "Organism|Lung|Intracellular|P-gp|Relative expression", "Value": 0.0657549316 }, { "Path": "Organism|Muscle|Intracellular|P-gp|Relative expression", "Value": 0.0128342959 }, { "Path": "Organism|Pancreas|Intracellular|P-gp|Relative expression", "Value": 0.0142510689 }, { "Path": "Organism|SmallIntestine|Intracellular|P-gp|Relative expression", "Value": 0.2808543974 }, { "Path": "Organism|SmallIntestine|Mucosa|Duodenum|Intracellular|P-gp|Relative expression", "Value": 1.0 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|P-gp|Relative expression", "Value": 1.0 }, { "Path": 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"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" } ], "Ontogeny": { "Name": "P-gp", "Table": { "Name": "TableFormula", "Percentile": 0.0, "DistributionMetaData": [ { "Mean": 1E-14, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 1.915059E-05, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 5.486795E-05, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.0001571905, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.0004502473, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.001288958, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.00368424, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.01048397, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.02946235, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.0800178, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.1994918, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.4165768, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.6716791, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.8542612, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.943803, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9796414, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.992799, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9974749, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9991173, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9996917, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9998924, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9999624, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 0.9999869, "Deviation": 1.6, "Distribution": "LogNormal" }, { "Mean": 1.0, "Deviation": 1.6, "Distribution": "LogNormal" } ], "XName": "Postmenstrual age", "XDimension": "Age in years", "XUnit": "year(s)", "YName": "P-gp", "YDimension": "Fraction", "UseDerivedValues": false, "Points": [ { "X": 0.0, "Y": 1E-14, "RestartSolver": false }, { "X": 0.08333334, "Y": 1.915059E-05, "RestartSolver": false }, { "X": 0.1666667, "Y": 5.486795E-05, "RestartSolver": false }, { "X": 0.25, "Y": 0.0001571905, "RestartSolver": false }, { "X": 0.3333333, "Y": 0.0004502473, "RestartSolver": false }, { "X": 0.4166667, "Y": 0.001288958, "RestartSolver": false }, { "X": 0.5, "Y": 0.00368424, "RestartSolver": false }, { "X": 0.5833333, "Y": 0.01048397, "RestartSolver": false }, { "X": 0.6666667, "Y": 0.02946235, "RestartSolver": false }, { "X": 0.75, "Y": 0.0800178, "RestartSolver": false }, { "X": 0.8333333, "Y": 0.1994918, "RestartSolver": false }, { "X": 0.9166667, "Y": 0.4165768, "RestartSolver": false }, { "X": 1.0, "Y": 0.6716791, "RestartSolver": false }, { "X": 1.083333, "Y": 0.8542612, "RestartSolver": false }, { "X": 1.166667, "Y": 0.943803, "RestartSolver": false }, { "X": 1.25, "Y": 0.9796414, "RestartSolver": false }, { "X": 1.333333, "Y": 0.992799, "RestartSolver": false }, { "X": 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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", 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"Organism|SmallIntestine|Mucosa|LowerIleum|Intracellular|ATP1A2|Relative expression", "Value": 0.0501579923 }, { "Path": "Organism|SmallIntestine|Mucosa|LowerJejunum|Intracellular|ATP1A2|Relative expression", "Value": 0.0501579923 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|ATP1A2|Relative expression", "Value": 0.0501579923 }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|ATP1A2|Relative expression", "Value": 0.0501579923 }, { "Path": "Organism|Spleen|Intracellular|ATP1A2|Relative expression", "Value": 0.0103243118 }, { "Path": "Organism|Stomach|Intracellular|ATP1A2|Relative expression", "Value": 0.0309435884 } ], "Localization": "Interstitial, BloodCellsMembrane, VascMembranePlasmaSide" }, { "Type": "Enzyme", "Species": "Human", "Molecule": "UGT1A4", "Category": "European (P-gp modified, CYP3A4 36 h)", "Parameters": [ { "Path": "Organism|Liver|Pericentral|Intracellular|UGT1A4|Relative expression", "Value": 1.0 }, { "Path": 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"Source": "Unknown" } }, { "Path": "Organism|SmallIntestine|Mucosa|UpperIleum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702, "ValueOrigin": { "Source": "Unknown" } }, { "Path": "Organism|SmallIntestine|Mucosa|UpperJejunum|Intracellular|CYP3A4|Relative expression", "Value": 0.0727697702, "ValueOrigin": { "Source": "Unknown" } } ], "Localization": "Intracellular, BloodCellsIntracellular, VascEndosome", "Ontogeny": { "Name": "CYP3A4" } } ], "Individuals": [ { "Name": "European (P-gp modified, CYP3A4 36 h)", "Seed": 17189110, "OriginData": { "CalculationMethods": [ "SurfaceAreaPlsInt_VAR1", "Body surface area - Mosteller" ], "Species": "Human", "Population": "European_ICRP_2002", "Gender": "MALE", "Age": { "Value": 30.0, "Unit": "year(s)" } }, "Parameters": [ { "Path": "Organism|Liver|EHC continuous fraction", "Value": 1.0, "ValueOrigin": { "Source": "Unknown" } } ], "ExpressionProfiles": [ "CYP3A4|Human|European (P-gp modified, CYP3A4 36 h)", "AADAC|Human|European (P-gp 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"PO_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (interstitial->intracellular)", "PO_2mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (interstitial->intracellular)", "Smith1984_IV_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (interstitial->intracellular)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_0.25mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_4mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Bertz1997_IV_2mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Fleishaker1989_IV_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_0.5mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_2mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Lin1988_IV_0.5mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.5mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.8mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "PO_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "PO_2mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Smith1984_IV_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|ColonDescendens_int_ColonDescendens_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_0.25mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_4mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Bertz1997_IV_2mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Fleishaker1989_IV_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_0.5mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_2mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Lin1988_IV_0.5mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.5mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.8mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "PO_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "PO_2mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Smith1984_IV_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_0.25mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_4mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Bertz1997_IV_2mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Fleishaker1989_IV_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_0.5mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_2mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Lin1988_IV_0.5mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.5mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.8mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "PO_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "PO_2mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Smith1984_IV_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|ColonSigmoid_int_ColonSigmoid_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_0.25mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_4mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Bertz1997_IV_2mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Fleishaker1989_IV_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_0.5mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_2mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Lin1988_IV_0.5mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.5mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.8mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "PO_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "PO_2mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Smith1984_IV_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_0.25mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_4mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Bertz1997_IV_2mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Fleishaker1989_IV_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_0.5mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_2mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Lin1988_IV_0.5mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.5mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.8mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "PO_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "PO_2mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Smith1984_IV_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|ColonTransversum_int_ColonTransversum_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_0.25mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_4mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Bertz1997_IV_2mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Fleishaker1989_IV_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_0.5mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_2mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Lin1988_IV_0.5mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.5mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.8mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "PO_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "PO_2mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Smith1984_IV_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_0.25mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_4mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Bertz1997_IV_2mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Fleishaker1989_IV_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_0.5mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_2mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Lin1988_IV_0.5mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.5mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.8mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "PO_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "PO_2mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Smith1984_IV_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|Duodenum_int_Duodenum_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_0.25mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_4mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Bertz1997_IV_2mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Fleishaker1989_IV_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_0.5mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_2mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Lin1988_IV_0.5mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.5mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.8mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "PO_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "PO_2mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Smith1984_IV_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_0.25mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_4mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Bertz1997_IV_2mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Fleishaker1989_IV_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_0.5mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Kroboth1988_IV_2mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Lin1988_IV_0.5mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.5mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "PO_0.8mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "PO_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "PO_2mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Smith1984_IV_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|LowerIleum_int_LowerIleum_cell|Alprazolam|P (intracellular->interstitial)", "Adams1984_IV_0.25mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_4mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Bertz1997_IV_2mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Fleishaker1989_IV_1mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_0.5mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_1mg_0.576mg_over8h|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Kroboth1988_IV_2mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Lin1988_IV_0.5mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.5mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "PO_0.8mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "PO_1mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "PO_2mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Smith1984_IV_1mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Venkatakrishnan2005_IV_1mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (interstitial->intracellular)", "Adams1984_IV_0.25mg|Neighborhoods|LowerJejunum_int_LowerJejunum_cell|Alprazolam|P (intracellular->interstitial)", 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(n=20)|Time", "Type": "Time" }, "DataInfo": { "Origin": "BaseGrid", "AuxiliaryType": "Undefined" }, "Values": [ 0.0, 1.0, 2.0, 4.0, 5.0, 6.0, 7.0, 9.0, 10.0, 11.0, 12.0, 14.0, 15.0, 20.0, 24.0, 48.0, 72.0, 73.0, 74.0, 76.0, 77.0, 78.0, 79.0, 81.0, 82.0, 83.0, 84.0, 86.0, 87.0, 88.0, 89.0, 91.0, 93.0, 96.0, 101.0, 108.0 ], "Dimension": "Time", "Unit": "h" } } ], "ObservedDataClassifications": [ { "Name": "IV", "Classifications": [ { "Name": "0.25 mg", "Classifiables": [ "Adams 1984 - 0.25 mg, Individual 1 - Alprazolam - IV - 0.25 mg - Plasma - indiv.", "Adams 1984 - 0.25 mg, Individual 2 - Alprazolam - IV - 0.25 mg - Plasma - indiv." ] }, { "Name": "4 mg", "Classifiables": [ "Adams 1984 - 4 mg, Individual 1 - Alprazolam - IV - 4 mg - Plasma - indiv.", "Adams 1984 - 4 mg, Individual 2 - Alprazolam - IV - 4 mg - Plasma - indiv.", "Adams 1984 - 4 mg, Individual 3 - Alprazolam - IV - 4 mg - Plasma - indiv." ] }, { "Name": "2 mg", "Classifiables": [ "Bertz 1997 - 2 mg, young subjects - Alprazolam - IV - 2 mg - Plasma - agg. (n=25)", "Kroboth 1988 - 2.0 mg/2 min - Alprazolam - IV - 2 mg - Plasma - agg. (n=4)" ] }, { "Name": "1 mg", "Classifiables": [ "Fleishaker 1989 - Treatment A (IV administration) - Alprazolam - IV - 1 mg - Plasma - agg. (n=42)", "Smith 1984 - IV administration - Alprazolam - IV - 1 mg - Plasma - agg. (n=6)", "Venkatakrishnan 2005 - Alprazolam - Alprazolam - IV - 1 mg - Plasma - agg. (n=9)" ] }, { "Name": "0.5 mg", "Classifiables": [ "Kroboth 1988 - 0.5 mg/2 min - Alprazolam - IV - 0.5 mg - Plasma - agg. (n=4)", "Lin 1988 - IV administration, Caucasian subjects - Alprazolam - IV - 0.5 mg - Plasma - agg. (n=14)" ] }, { "Name": "1.576 mg", "Classifiables": [ "Kroboth 1988 - 1.0 mg/2 min, then 72 µg/hr for 8 hours - Alprazolam - IV - 1.576 mg - Plasma - agg. (n=4)" ] } ] }, { "Name": "PO", "Classifications": [ { "Name": "2 mg", "Classifiables": [ "Schmith 1991 - Normal subjects 2 mg - Alprazolam - PO - 2 mg - Plasma - agg. (n=12)", "Eberts 1980 - 14C-Alprazolam - Alprazolam - PO - 2 mg - Urine - agg. (n=6)" ] }, { "Name": "1 mg", "Classifiables": [ "Eller 1990 - Treatment C (fasting IR) - Alprazolam - PO - 1 mg - Plasma - agg. (n=21)", "Friedman 1991 - Alprazolam group - Alprazolam - PO - 1 mg - Plasma - agg. (n=22)", "Greenblatt 1988 - Alprazolam group - Alprazolam - PO - 1 mg - Plasma - agg. (n=12)", "Greenblatt 1992 - Alprazolam group, Placebo first, Fluoxetine second - Alprazolam - PO - 1 mg - Plasma - agg. (n=11)", "Greenblatt 1998b - Alprazolam alone (Trial A) - Alprazolam - PO - 1 mg - Plasma - agg. (n=7)", "Greenblatt 2000 - Control - Alprazolam - PO - 1 mg - Plasma - agg. (n=8)", "Juhl 1984 - Healthy control group - Alprazolam - PO - 1 mg - Plasma - agg. (n=17)", "Kaplan 1998 - Young - Alprazolam - PO - 1 mg - Plasma - agg. (n=8)", "Kirkwood 1991 - Men - Alprazolam - PO - 1 mg - Plasma - agg. (n=8)", "Schmider 1999 - Alprazolam alone - Alprazolam - PO - 1 mg - Plasma - agg. (n=9)", "Smith 1984 - Oral administration - Alprazolam - PO - 1 mg - Plasma - agg. (n=6)", "Wennerholm 2005 - Figure 1 - Alprazolam - PO - 1 mg - Plasma - agg. (n=12)" ] }, { "Name": "0.5 mg", "Classifiables": [ "Lin 1988 - Oral administration, Caucasian subjects - Alprazolam - PO - 0.5 mg - Plasma - agg. (n=14)", "Schmith 1991 - Normal subjects 0.5 mg - Alprazolam - PO - 0.5 mg - Plasma - agg. (n=12)" ] }, { "Name": "0.8 mg", "Classifiables": [ "Yasui 1996 - Treatment with placebo - Alprazolam - PO - 0.8 mg - Plasma - agg. (n=12)", "Yasui 1998 - Alprazolam with placebo - Alprazolam - PO - 0.8 mg - Plasma - agg. (n=10)", "Yasui 2000 - Alprazolam with water - Alprazolam - PO - 0.8 mg - Plasma - agg. (n=8)" ] } ], "Classifiables": [ "Fleishaker 1994 - Alprazolam alone - Alprazolam - PO - 1 mg - Plasma - agg. (n=20)" ] } ], "SimulationClassifications": [ { "Name": "IV", "Classifiables": [ "Kroboth1988_IV_0.5mg", "Kroboth1988_IV_2mg", "Kroboth1988_IV_1mg_0.576mg_over8h", "Adams1984_IV_0.25mg", "Adams1984_IV_4mg", "Fleishaker1989_IV_1mg", "Lin1988_IV_0.5mg", "Smith1984_IV_1mg", "Venkatakrishnan2005_IV_1mg", "Bertz1997_IV_2mg" ] }, { "Name": "Oral", "Classifiables": [ "PO_0.5mg", "PO_1mg", "PO_2mg", "PO_0.8mg", "PO_Fleishaker1994" ] } ] }