Yuki Yamagata yuki.yamagata at riken.jp Elucidating the mechanism of toxicity is crucial in drug safety evaluations. TOXic Process Ontology (TXPO) systematizes a wide variety of terms involving toxicity courses and processes. The first version of TXPO focuses on liver toxicity. The TXPO contains an is-a hierarchy that is organized into three layers: the top layer contains general terms, mostly derived from the Basic Formal Ontology. The intermediate layer contains biomedical terms in OBO foundry from UBERON, Cell Ontology, NCBI Taxon, ChEBI, Gene Ontology, PATO, OGG, INOH, HINO, NCIT, DOID and Relational ontology (RO). The lower layer contains toxicological terms. In applied work, we have developed a prototype of TOXPILOT, a TOXic Process InterpretabLe knOwledge sysTem. TOXPILOT provides visualization maps of the toxic course, which facilitates capturing the comprehensive picture for understanding toxicity mechanisms. A prototype of TOXPILOT is available: https://toxpilot.nibiohn.go.jp http://creativecommons.org/licenses/by/4.0/ TOXic Process Ontology (TXPO) An extension version ontology, which focuses on the homeostasis imbalance process affected by drugs, viruses, and other factors, is available: Homeostasis imbalance process (HoIP) ontology https://bioportal.bioontology.org/ontologies/HOIP 2022/12/07 editor preferred term example of usage has curation status definition editor note term editor alternative term definition source curator note imported from For external terms/classes, the ontology from which the term was imported PERSON:Alan Ruttenberg PERSON:Melanie Courtot GROUP:OBI:<http://purl.obolibrary.org/obo/obi> imported from elucidation has associated axiom(nl) has associated axiom(fol) has axiom label the symbol assigned by the nomenclature authority symbol from nomenclature authority full name from nomenclature authority A GeneID in the NCBI Gene database NCBI GeneID the NCBI LocusTag name of a gene NCBI LocusTag gene map location The NCBITaxon ontology ID of an organism. organism NCBITaxon ID chromosome ID of gene nomenclature status has GO association has PubMed association X is the opposite of y if there exists some distance metric M, and there exists no z such as M(x,z) <= M(x,y) or M(y,z) <= M(y,x). is opposite_of external definition Notes on the homology status of this class. This annotation property may be replaced with an annotation property from an external ontology such as IAO homology notes Notes on the how instances of this class vary across species. taxon notes Notes on the evolved function of instances of this class. function_notes Notes on the structure, composition or histology of instances of this class. structure_notes Notes on the ontogenic development of instances of this class. development_notes fma_set_term formula smiles Recommended best practice is to use RFC 3066 [RFC3066], which, in conjunction with ISO 639 [ISO639], defines two- and three-letter primary language tags with optional subtags. Examples include "en" or "eng" for English, "akk" for Akkadian, and "en-GB" for English used in the United Kingdom. A language of the intellectual content of the resource. Language auto-generated-by date has_alternative_id database_cross_reference has_exact_synonym has_narrow_synonym has_related_synonym is part of my brain is part of my body (continuant parthood, two material entities) my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity) this day is part of this year (occurrent parthood) a core relation that holds between a part and its whole Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'. http://www.obofoundry.org/ro/#OBO_REL:part_of part_of part of my body has part my brain (continuant parthood, two material entities) my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity) a core relation that holds between a whole and its part Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has part occurs in b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t occurs_in unfolds in unfolds_in Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant occurs in a relation between a continuant and a process, in which the process takes place entirely within the independent continuant [copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t contains process a relation between a gene and the organism where this gene belongs to the organism in nature. It does not include a foreign gene that is transferred to an organism by a genetic engineering method. is gene of organism inheres in this fragility inheres in this vase this red color inheres in this apple a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence A dependent inheres in its bearer at all times for which the dependent exists. inheres_in inheres in a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence bearer_of is bearer of bearer of participates in this blood clot participates in this blood coagulation this input material (or this output material) participates in this process this investigator participates in this investigation a relation between a continuant and a process, in which the continuant is somehow involved in the process participates_in participates in a relation between a process and a continuant, in which the continuant is somehow involved in the process Example: Protein refolding process hasParticipant "GRP78/Bip" that has a chaperon role . http://www.obofoundry.org/ro/#OBO_REL:has_participant has participant this catalysis function is a function of this enzyme A relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence function_of is_function_of function of this red color is a quality of this apple a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence A quality inheres in its bearer at all times for which the quality exists. is quality of quality_of quality of this investigator role is a role of this person a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists. is role of role_of role of a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists. has function a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence hasQuality is a relation between an entity and the quality that it bears. has_quality has quality a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence has_role A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has role A part of relation that applies only between occurents. is occurent part of occurent part of relation between an artery and the structure is supplies with blood supplies W 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. has component process(P1) regulates process(P2) iff: P1 results in the initiation or termination of P2 OR affects the frequency of its initiation or termination OR affects the magnitude or rate of output of P2. regulates Process(P1) negatively regulates process(P2) iff: P1 terminates P2, or P1 descreases the the frequency of initiation of P2 or the magnitude or rate of output of P2. negatively regulates Process(P1) postively regulates process(P2) iff: P1 initiates P2, or P1 increases the the frequency of initiation of P2 or the magnitude or rate of output of P2. positively regulates P has output c iff c is a participant in p, c is present at the beginning of p. has input P has output c iff c is a participant in p, c is present at the end of p has output inverse of regulates: process(P1) regulates process(P2) iff: P1 results in the initiation or termination of P2 OR affects the frequency of its initiation or termination OR affects the magnitude or rate of output of P2. regulated by inverse of negatively regulates: Process(P1) negatively regulates process(P2) iff: P1 terminates P2, or P1 descreases the the frequency of initiation of P2 or the magnitude or rate of output of P2. negatively regulated by inverse of positively regulates: Process(P1) postively regulates process(P2) iff: P1 initiates P2, or P1 increases the the frequency of initiation of P2 or the magnitude or rate of output of P2. positively regulated by This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from some initial location l to some destination. has target start location RO:0002339 This relationship holds between p and l when p is a transport or localization process in which the outcome is to move some cargo c from a an initial location to some destination. has target end location An organism that is a member of a population of organisms is member of is a mereological relation between a item and a collection. is member of member part of SIO member of has member is a mereological relation between a collection and an item. has member 'input of' is a relation between a participant and a process, where the participant is present at the start of the process. is input of input of 'output of' is a relation between a participant and a process, where the participant is present at the end of the process. is output of output_of output of p 'causally upstream or within' q iff (1) the end of p is before the end of q and (2) the execution of p exerts some causal influence over the outputs of q; i.e. if p was abolished or the outputs of p were to be modified, this would necessarily affect q. causally upstream of or within inverse of causally upstream of or within: p 'causally upstream or within' q iff (1) the end of p is before the end of q and (2) the execution of p exerts some causal influence over the outputs of q; i.e. if p was abolished or the outputs of p were to be modified, this would necessarily affect q. causally downstream of or within x composed_primarily_of_y if:more than half of the mass of x is made from parts of y composed_primarily_of p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one of direct activation or direct inhibition. p may be upstream, downstream, part of or a container of q. http://purl.obolibrary.org/obo/ro/docs/causal-relations causal relation between processes Holds between c and p if and only if c is capable of some activity a, and a regulates p. capable of regulating Holds between c and p if and only if c is capable of some activity a, and a positively regulates p. capable of positively regulating Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p. capable of negatively regulating a relation between a toxic course (the bearer) and a process. Core process is a crucial process to the manifestation of toxicity and depends on the bearer for its existence. has core process has core process 'Metafunctioning type of' is a relation between the type of metafunctioning and functioning process. Metafunctioning is a functional process to other process, for example, preventing, controlling and so on. is metafuntioning type of is_metafuntioning_type_of metafuntioning type of 'has molecular reaction' is a relation that holds between a whole occurrent (process) and its molecular process. has molecular reaction 'finding of' is a relation between a finding and an entity, where the finding is a representational artifact that a result of a laboratory test or an observation. is finding of finding of 'component of' is a relation between molecular components and a molecular complex. component of located_in inverse of 'has cause': p 'has cause' q if p exerts some causal influence on q directly, where p is a cause and q is its effect. results in has result p 'has cause' q if p exerts some causal influence on q directly, where p is a cause and q is its effect. has cause 'Relation between a role and a process' is a relationship that holds between a role of material entity and a process in which causality is involved, with either the material entity or some part of the material entity plays a role and some influence over the process. relation between a role and a process 'manifested phenotype of' is a relation between a phenotype and an entity, where there is a bearer of the realizable entity that participates in the process, and the phenotype comes to be realized in the course of the process. manifested phenotype of This shattering realizes the fragility in the course of breaking the cup (process). 'mainfests phenotype' is a relation between an entity and quality, where there is a bearer of the realizable entity that participates in the process, and the phenotype comes to be realized in the course of the process. manifests phenotype Inherit means to receive a property (or an attribute and its value) from another entity (other than the ancestor) . inherit 'has family member' is a relation between (molecule ) family and a molecule. A protein family is a group of evolutionarily-related proteins. In many cases a protein family has a corresponding gene family. has family member A protein family is a group of evolutionarily-related proteins. In many cases a protein family has a corresponding gene family. Wikipedia:Protein family 'dysfunctioning of' is a relation between an impaired or abnormal functioning and a normal functioning process. is dysfuctioning of dysfunctioning of 'molecular reaction of' is a relation that holds between a molecular process and its whole process. is molecular reaction of molecular_reaction_of molecular reaction of 'relates assay' is a relation between an entity and the assay in which the entity was related (e.g., can be expressed, observed, and so on). relateds assay 'has context' is a relation between an entity and its context dependent on. Role is intrinsically context-dependent. has context 'has related human gene' is a relation between a molecule and the related gene. has related human gene The cross-sectional area of the coronary artery has attribute value 'small.' 'has attribute value' is a relation between an attribute and its value. has attribute value 'dysfunctioning of' is a relation between an increasing function process and a normal one. hyperfunction of 'malfunctioning of' is a relation between an abnormal functioning and a normal functioning process. malfunctioning of has related rat gene 'has state' is a relation between an entity and the state. has state 'has attribute' is a relation between an entity and its attribute, in which the attribute specifically depends on the bearer for its existence. has attribute 'has agent' is a relation between a participant and a process, in which the participant is active in the relevant process. Example: A protease is an agent in proteolysis process. has agent Metafunctioning type is a relation between functional process and the type of metafunction. Metafunctioning is a functional process to other process, for example, preventing, controlling and so on. metafunctioning type 'property of' is a relation between a property and the entity, , in which the property specifically depends on the bearer for its existence. http://semanticscience.org/resource/SIO_000224 is property of property of 'is attribute of' is a relation that associates an attribute with an entity. is attribute of is_attribute_of attribute of 'has finding' is a relation between an entity and its finding, where the finding is a representational artifact that a result of a laboratory test or an observation. has finding Proteolysis is a context of the protease role of the molecule. 'context of' is a relation between a context and an entity. Role is intrinsically context-dependent. context of 'related assay of' is a relationship between an assay and the entity, in which the entity can be related (e.g., can be expressed, observed, and so on) in the assay like in vivo, in vitro or clinical test. related assay of 'agent of' is a relation between a participant and a process, in which the participant is active in the relevant process. is agent of agent of 'famly of' is a relationship between a molecule and its family. A protein family is a group of evolutionarily-related proteins. In many cases a protein family has a corresponding gene family. family_of family of A protein family is a group of evolutionarily-related proteins. In many cases a protein family has a corresponding gene family. Wikipedia:Protein family "has ocurrent part" is a relation that holds between a whole occurrent (process) and its part. has occurrent part "has pathway" is a relation that holds between a whole occurrent (process) for signaling and its pathway. has pathway 'pathway of' is a relation that holds between a pathway and its whole (signaling) process. is pathway of is_pathway_of pathway_of pathway of 'Is substance in organism' is a relation between substance and organism where the substance is existed in. is entity in organism 'has dysfunctioning' is a relation between a normal functioning process and an impaired or abnormal functioning. has_dysfunctioning has dysfunctioning 'Attribute value of' is a relation between a value and its attribute is attribute value of attribute value of observed in A relation between a process/process sequence and a disease. realizes disease 'channel for' is a relation between a channel that is a passage and an entity such a solvent (e.g., ion) to pass. channel for Julius Caesar Verdi’s Requiem the Second World War your body mass index BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) entity Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf per discussion with Barry Smith An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] continuant Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] occurrent occurrent Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. per discussion with Barry Smith Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] a chair a heart a leg a molecule a spatial region an atom an orchestra. an organism the bottom right portion of a human torso the interior of your mouth b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] independent continuant b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] BFO 2 Reference: Spatial regions do not participate in processes. Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] spatial region Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. per discussion with Barry Smith A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] temporal region Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional per discussion with Barry Smith A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] an infinitely thin plane in space. the surface of a sphere-shaped part of space A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] two-dimensional spatial region A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] the spatiotemporal region occupied by a human life the spatiotemporal region occupied by a process of cellular meiosis. the spatiotemporal region occupied by the development of a cancer tumor A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) Every spatiotemporal region occupies_spatiotemporal_region itself. Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] spatiotemporal region A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] a process of cell-division, \ a beating of the heart a process of meiosis a process of sleeping the course of a disease the life of an organism your process of aging. p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) Superclass of unit process(primitive process) and senquence processes. It is dissective and has no unity, and hence it can change. It follows A-series of time. (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] process p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) Superclass of unit process(primitive process) and senquence processes. It is dissective and has no unity, and hence it can change. It follows A-series of time. YAMATO ontology (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] an atom of element X has the disposition to decay to an atom of element Y certain people have a predisposition to colon cancer children are innately disposed to categorize objects in certain ways. the cell wall is disposed to filter chemicals in endocytosis and exocytosis BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] disposition b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] the disposition of this piece of metal to conduct electricity. the disposition of your blood to coagulate the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] realizable entity To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] zero-dimensional spatial region A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] the ambient temperature of this portion of air the color of a tomato the length of the circumference of your waist the mass of this piece of gold. the shape of your nose the shape of your nostril a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] YAMATO:property quality a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key of one-sided specifically dependent continuants: the mass of this tomato of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. the disposition of this fish to decay the function of this heart: to pump blood the mutual dependence of proton donors and acceptors in chemical reactions [79 the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction the pink color of a medium rare piece of grilled filet mignon at its center the role of being a doctor the shape of this hole. the smell of this portion of mozzarella b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] specifically dependent continuant b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. per discussion with Barry Smith (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. the priest role the role of a boundary to demarcate two neighboring administrative territories the role of a building in serving as a military target the role of a stone in marking a property boundary the role of subject in a clinical trial the student role BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] role b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 the FMA:regional parts of an intact human body. the Western hemisphere of the Earth the division of the brain into regions the division of the planet into hemispheres the dorsal and ventral surfaces of the body the upper and lower lobes of the left lung BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] fiat object part b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] an edge of a cube-shaped portion of space. A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] one-dimensional spatial region A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] a collection of cells in a blood biobank. a swarm of bees is an aggregate of members who are linked together through natural bonds a symphony orchestra an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) defined by fiat: the aggregate of members of an organization defined through physical attachment: the aggregate of atoms in a lump of granite defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container defined via attributive delimitations such as: the patients in this hospital the aggregate of bearings in a constant velocity axle joint the aggregate of blood cells in your body the nitrogen atoms in the atmosphere the restaurants in Palo Alto your collection of Meissen ceramic plates. An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] object aggregate An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] a cube-shaped region of space a sphere-shaped region of space, A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] three-dimensional spatial region A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] Manhattan Canyon) a hole in the interior of a portion of cheese a rabbit hole an air traffic control region defined in the airspace above an airport the Grand Canyon the Piazza San Marco the cockpit of an aircraft the hold of a ship the interior of a kangaroo pouch the interior of the trunk of your car the interior of your bedroom the interior of your office the interior of your refrigerator the lumen of your gut your left nostril (a fiat part – the opening – of your left nasal cavity) b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] site b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] atom cell cells and organisms engineered artifacts grain of sand molecule organelle organism planet solid portions of matter star BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 BFO 2 Reference: an object is a maximal causally unified material entity BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) object b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. the pdf file on your laptop, the pdf file that is a copy thereof on my laptop the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] generically dependent continuant b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] the function of a hammer to drive in nails the function of a heart pacemaker to regulate the beating of a heart through electricity the function of amylase in saliva to break down starch into sugar BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] function A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] the boundary between the 2nd and 3rd year of your life. p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] process boundary (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) the temporal region during which a process occurs. BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] one-dimensional temporal region A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] a flame a forest fire a human being a hurricane a photon a puff of smoke a sea wave a tornado an aggregate of human beings. an energy wave an epidemic the undetached arm of a human being BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] material entity A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions. BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29 Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. Every continuant fiat boundary is located at some spatial region at every time at which it exists (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] continuant fiat boundary b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 immaterial entity The Equator all geopolitical boundaries all lines of latitude and longitude the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin. the median sulcus of your tongue a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] one-dimensional continuant fiat boundary a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance. The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on. b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] process profile b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. a marriage bond, an instance of love, an obligation between one person and another. b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] relational quality b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] two-dimensional continuant fiat boundary a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] the geographic North Pole the point of origin of some spatial coordinate system. the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] zero-dimensional continuant fiat boundary zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. requested by Melanie Courtot a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] a temporal region that is occupied by a process boundary right now the moment at which a child is born the moment at which a finger is detached in an industrial accident the moment of death. temporal instant. A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] zero-dimensional temporal region A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. Beilstein:7694998 CAS:137234-62-9 DrugBank:DB00582 Drug_Central:2846 LINCS:LSM-5244 PMID:12940129 PMID:22718362 PMID:23392902 PMID:23527908 PMID:23766489 PMID:24102553 (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol voriconazole (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol VCZ Vfend voriconazol voriconazole voriconazolum CHEBI:10023 voriconazole Beilstein:7694998 Beilstein CAS:137234-62-9 ChemIDplus CAS:137234-62-9 DrugBank Drug_Central:2846 DrugCentral PMID:12940129 Europe PMC PMID:22718362 Europe PMC PMID:23392902 Europe PMC PMID:23527908 Europe PMC PMID:23766489 Europe PMC PMID:24102553 Europe PMC A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. Beilstein:3568352 CAS:85721-33-1 DrugBank:DB00537 Drug_Central:659 LINCS:LSM-5226 PMID:10397494 PMID:10737746 Reaxys:3568352 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid Ciprofloxacin ciprofloxacin 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid ciprofloxacin ciprofloxacine ciprofloxacino ciprofloxacinum CHEBI:100241 ciprofloxacin Beilstein:3568352 Beilstein CAS:85721-33-1 ChemIDplus Drug_Central:659 DrugCentral PMID:10397494 ChEMBL PMID:10737746 ChEMBL Reaxys:3568352 Reaxys Beilstein:3641829 CAS:107753-78-6 DrugBank:DB00549 Drug_Central:2855 LINCS:LSM-5792 PMID:11888331 PMID:19331987 PMID:22159431 PMID:22614107 PMID:24258705 PMID:25798389 PMID:25834030 Reaxys:3641829 cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide Accolate cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate zafirlukast CHEBI:10100 zafirlukast Beilstein:3641829 Beilstein CAS:107753-78-6 ChemIDplus Drug_Central:2855 DrugCentral PMID:11888331 Europe PMC PMID:19331987 Europe PMC PMID:22159431 Europe PMC PMID:22614107 Europe PMC PMID:24258705 Europe PMC PMID:25798389 Europe PMC PMID:25834030 Europe PMC Reaxys:3641829 Reaxys A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. C10H13N5O4 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O Beilstein:763034 CAS:30516-87-1 DrugBank:DB00495 Drug_Central:2861 LINCS:LSM-5806 PMID:19112024 PMID:26859826 PMID:29438107 PMID:9203666 Wikipedia:Zidovudine 3'-azido-3'-deoxythymidine AZT AZT Azidothymidine Retrovir Zidovudin Zidovudinum zidovudine CHEBI:10110 zidovudine Beilstein:763034 Beilstein CAS:30516-87-1 ChemIDplus CAS:30516-87-1 DrugBank Drug_Central:2861 DrugCentral PMID:19112024 ChEMBL PMID:26859826 Europe PMC PMID:29438107 Europe PMC PMID:9203666 Europe PMC A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogen at position 2 is replaced by a 1-[carbamoyl(hydroxy)amino]ethyl group. A selective 5-lipoxygenase inhibitor, it inhibits the formation of leukotrienes LTB4, LTC4, LDT4, and LTE4. It is used for the management of chronic asthma. CAS:111406-87-2 DrugBank:DB00744 Drug_Central:2862 LINCS:LSM-5084 PMID:19309543 PMID:19645854 PMID:20204486 PMID:20436887 1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea Zileuton (+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea Leutrol N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea Zyflo zileuton zileutonum CHEBI:10112 zileuton CAS:111406-87-2 ChemIDplus Drug_Central:2862 DrugCentral PMID:19309543 Europe PMC PMID:19645854 Europe PMC PMID:20204486 Europe PMC PMID:20436887 Europe PMC A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. Beilstein:3573079 CAS:42399-41-7 DrugBank:DB00343 Drug_Central:897 LINCS:LSM-2523 PMID:11937779 PMID:16651034 PMID:19167257 PMID:23687551 PMID:24261918 PMID:25122162 PMID:8369596 Reaxys:3573079 (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester D-cis-diltiazem d-cis-diltiazem diltiazem diltiazemum CHEBI:101278 diltiazem Beilstein:3573079 Beilstein CAS:42399-41-7 ChemIDplus CAS:42399-41-7 NIST Chemistry WebBook Drug_Central:897 DrugCentral PMID:11937779 Europe PMC PMID:16651034 Europe PMC PMID:19167257 Europe PMC PMID:23687551 Europe PMC PMID:24261918 Europe PMC PMID:25122162 Europe PMC PMID:8369596 Europe PMC Reaxys:3573079 Reaxys A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions. CAS:183321-74-6 DrugBank:DB00530 Drug_Central:1045 LINCS:LSM-1097 PMID:12270171 PMID:14684309 PMID:15711537 PMID:16014882 PMID:16014883 PMID:16480284 PMID:17889528 PMID:17983745 PMID:29448920 PMID:29579331 PMID:29687154 PMID:30039303 PMID:30071517 PMID:30150014 PMID:30158288 Reaxys:8798958 N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine [6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine [6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine erlotinib erlotinibum CHEBI:114785 erlotinib CAS:183321-74-6 ChemIDplus CAS:183321-74-6 DrugBank Drug_Central:1045 DrugCentral PMID:12270171 ChEMBL PMID:14684309 ChEMBL PMID:15711537 ChEMBL PMID:16014882 Europe PMC PMID:16014883 Europe PMC PMID:16480284 ChEMBL PMID:17889528 ChEMBL PMID:17983745 ChEMBL PMID:29448920 Europe PMC PMID:29579331 Europe PMC PMID:29687154 Europe PMC PMID:30039303 Europe PMC PMID:30071517 Europe PMC PMID:30150014 Europe PMC PMID:30158288 Europe PMC Reaxys:8798958 Reaxys An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively. Beilstein:484561 CAS:24526-64-5 DrugBank:DB04821 Drug_Central:1958 LINCS:LSM-4388 PMID:1502708 PMID:24766210 PMID:7189402 Reaxys:484561 2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine Nomifensine (+-)-Nomifensin (+-)-Nomifensine 2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine 8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline D,L-nomifensine Nomifenison Nomifensin Nomiphensine R/S-nomifensine nomifensina nomifensine nomifensinum CHEBI:116225 nomifensine Beilstein:484561 Beilstein CAS:24526-64-5 ChemIDplus CAS:24526-64-5 NIST Chemistry WebBook Drug_Central:1958 DrugCentral PMID:1502708 Europe PMC PMID:24766210 Europe PMC PMID:7189402 Europe PMC Reaxys:484561 Reaxys 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. Beilstein:7387333 CAS:154598-52-4 DrugBank:DB00625 Drug_Central:989 LINCS:LSM-5526 PMID:10576692 PMID:10673109 PMID:25017682 Reaxys:7387333 (4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one Efavirenz (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE (S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one (S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one 6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one CHEBI:119486 efavirenz Beilstein:7387333 Beilstein CAS:154598-52-4 ChemIDplus Drug_Central:989 DrugCentral PMID:10576692 ChEMBL PMID:10673109 ChEMBL PMID:25017682 Europe PMC Reaxys:7387333 Reaxys A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. Beilstein:4318684 CAS:83015-26-3 DrugBank:DB00289 Drug_Central:256 LINCS:LSM-2452 PMID:15338851 PMID:23048018 Reaxys:4318684 (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine (-)-Tomoxetine Tomoxetina Tomoxetinum atomoxetine tomoxetine CHEBI:127342 atomoxetine Beilstein:4318684 Beilstein CAS:83015-26-3 ChemIDplus Drug_Central:256 DrugCentral PMID:15338851 Europe PMC PMID:23048018 Europe PMC Reaxys:4318684 Reaxys A member of the class of lysophosphatidic acids obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid. A 'closed' class. MeSH:C032881 PMID:20118541 Lysophosphatidic acid (LPA) is a lipid mediator that is known to exhibit chemotactic activity toward a variety of cancer cells. However, its effect on the immune system has not been studied extensively. Another lipid mediator, sphingosine-1-phosphate (S1P), has been shown to influence lymphocyte recirculation by regulating lymphocyte egress from lymphoid organs. In this study, we found that LPA inhibits spontaneous migration of mouse splenic lymphocytes through a chemorepulsive effect. We also demonstrated that LPA inhibits chemokine CCL21-induced lymphocyte migration. This inhibitory effect on CCL21-induced migration was observed for both T and B cells. The involvement of a receptor, LPA(1), LPA(2) or LPA(3), in the inhibition of the CCL21-induced migration was confirmed with a synthetic agonist, oleyl thiophosphate. Considering that the signaling by CCL21 through cognate receptor CCR7 contributes to lymphocyte homing and dendritic cell trafficking to lymph nodes, LPA may play a role as a key regulator of these processes. The inhibitory effect of LPA is in remarkable contrast to the effect of S1P receptor signaling, which is known to potentiate lymphocyte chemotaxis involving CCR7. PMID:7768880 Lysophosphatidic acid, a multifunctional phospholipid messenger. Lysophosphatidic acid (LPA1(1); 1-acyl-glycerol-3-phosphate),is the simplest of all glycerophospholipids. While LPA has long been known as a precursor of phospholipid biosynthesis in both eukaryotic and prokaryotic cells, only recently has LPA emerged as an intercellular signaling molecule that is rapidly produced and released by activated cells, notably platelets, to influence target cells by acting on a specific cell-surface receptor. The list of biological responses to LPA is quite diverse, ranging from induction of cell proliferation to stimulation of neurite retraction. The mitogenic activities of LPA have been best studied in fibroblasts. As with peptide growth factors, induction of DNA synthesis by LPA requires its long term presence in the medium LPA, but not peptide growth factors, can mimic serum in inducing invasion of carcinoma and hepatoma cells into monolayers of mesothelial cells. The underlying mechanism is not clear but may well involve both increased cell adhesion and enhanced cell motility. Many mitogens activate the p85/p110 phosphatidylinositol (PI) 3-kinase in their target cells and so does LPA. LPA-induced PI 3-kinase activity has been found in 3T3 cells (Ref. 44; but see ref. 45 for conflicting data) and in megakaryoblastic cells. Whatever its precise link to the LPA receptor and physiological function, PI 3-kinase does not seem to be essential for mitogenic signaling, since microinjection of a neutralizing antibody does not affect LPA-induced DNA synthesis. LPA lysophosphatidic acid A class of lipoproteins with a density between that of low-density and very-low-density lipoproteins. They are formed by the degradatiion of very-low-density lipoproteins. IDL intermediate-density lipoprotein An agonist that binds to and activates farnesoid X receptors Wikipedia:Farnesoid_X_receptor BAR agonist FXR agonist bile acid receptor agonist farnesoid X receptor agonist A drug that makes increases the sensitivity of tumour cells to radiation therapy. PMID:12520460 radiosensitiser radiosensitisers radiosensitising agent radiosensitising agents radiosensitizer radiosensitizers radiosensitizing agents CHEBI:132992 radiosensitizing agent PMID:12520460 Europe PMC A role played by the entity which inhibits the oxidation of any fatty acid. fatty acid oxidation inhibitor Abbreviation for nicotinamide-adenine dinucleotide when its oxidation state is unknown or unspecified. It is used in metabolic pathways like glycolysis and citric acid cycle. Wikipedia:Nicotinamide_adenine_dinucleotide NAD CAS:65-64-5 Drug_Central:4865 ICI-31397 actomol mebanazine hydrochloride mebanazine monohydrochloride mebanazine monooxalate mebanazine monosulfate mebanazine oxalate mebanazine sulfate CHEBI:134728 mebanazine CAS:65-64-5 DrugCentral Drug_Central:4865 DrugCentral CAS:4214-72-6 Drug_Central:1485 N-(Isopropylamino)-2-pyrimidine CHEBI:134762 isaxonine CAS:4214-72-6 DrugCentral Drug_Central:1485 DrugCentral CAS:547-44-4 Drug_Central:2496 sulfanilcarbamid sulfanilylurea sulfaurea sulphacarbamide sulphaurea urosulfan urosulfane CHEBI:134891 sulfacarbamide CAS:547-44-4 DrugCentral Drug_Central:2496 DrugCentral CAS:7175-09-9 Drug_Central:2662 5-Methyl-7-bromo-8-hydroxyquinoline CHEBI:134965 tilbroquinol CAS:7175-09-9 DrugCentral Drug_Central:2662 DrugCentral CAS:92623-85-3 Drug_Central:1808 (+/-)-Milnacipran midalcipran milnacipran HCl milnacipran hydrochloride CHEBI:135005 milnacipran CAS:92623-85-3 DrugCentral Drug_Central:1808 DrugCentral CAS:21721-92-6 Drug_Central:1946 altimol CHEBI:135009 nitrefazole CAS:21721-92-6 DrugCentral Drug_Central:1946 DrugCentral Pirprofen was a nonsteroidal anti-inflammatory drug (NSAID) that was brought to market by Ciba-Geigy in 1982 as a treatment for arthritis and pain. (by Wikipedia) C13H14ClNO2 ClC1=C(C=CC(=C1)C(C(O)=O)C)N2CC=CC2 CAS:31793-07-4 DrugBank:DB13722 Drug_Central:2213 Wikipedia:Pirprofen racemic pirprofen rengasil CHEBI:135028 pirprofen CAS:31793-07-4 DrugCentral Drug_Central:2213 DrugCentral CAS:5310-55-4 Drug_Central:3717 clomacran phosphate CHEBI:135273 clomacran CAS:5310-55-4 DrugCentral Drug_Central:3717 DrugCentral CAS:56775-88-3 Drug_Central:2863 cis-Zimelidine zimeldine hydrochloride hydrate zimelidine zimelidine HCl zimelidine dihydrochloride zimelidine dihydrochloride hydrate zimelidine dihydrochloride monohydrate zimelidine hydrochloride CHEBI:135357 zimeldine CAS:56775-88-3 DrugCentral Drug_Central:2863 DrugCentral CAS:125-13-3 Drug_Central:2038 oxyphenisatin phenolisatin veripaque CHEBI:135358 oxyphenisatine CAS:125-13-3 DrugCentral Drug_Central:2038 DrugCentral CAS:25803-14-9 Drug_Central:698 clometacine clometazin clomethacin duperan mindolic acid CHEBI:135512 clometacin CAS:25803-14-9 DrugCentral Drug_Central:698 DrugCentral CAS:84-04-8 Drug_Central:2180 mornidine nausidol nometine CHEBI:135641 pipamazine CAS:84-04-8 DrugCentral Drug_Central:2180 DrugCentral C21H23Cl2N3O C(C(N(CCC)CCC)=O)C1=C(N=C2N1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl CAS:82626-01-5 Drug_Central:134 Wikipedia:Alpidem Alpidem (Ananxyl) is an anxiolytic drug from the imidazopyridine family, related to the more well known sleeping medication zolpidem. (by Wikipedia) Ananxyl ananxyl CHEBI:135649 alpidem CAS:82626-01-5 DrugCentral Drug_Central:134 DrugCentral CAS:145733-36-4 Drug_Central:3839 ANA-756 ANA756 verdia CHEBI:135666 tasosartan CAS:145733-36-4 DrugCentral Drug_Central:3839 DrugCentral CAS:84845-75-0 Drug_Central:4002 niperotidine HCl niperotidine hydrochloride perultid piperonyl ranitidine HCl piperonyl ranitidine hydrochloride CHEBI:135706 niperotidine CAS:84845-75-0 DrugCentral Drug_Central:4002 DrugCentral CAS:100981-43-9 Drug_Central:979 FI-3542 ebrodin ulsanic CHEBI:135774 ebrotidine CAS:100981-43-9 DrugCentral Drug_Central:979 DrugCentral CAS:68-90-6 Drug_Central:321 cardivix dilafurane CHEBI:135814 benziodarone CAS:68-90-6 DrugCentral Drug_Central:321 DrugCentral CAS:146961-76-4 Drug_Central:102 alatrofloxacin mesilate alatrofloxacin mesylate CHEBI:135829 alatrofloxacin CAS:146961-76-4 DrugCentral Drug_Central:102 DrugCentral sn-glycero-3-phosphonocholine glycerophosphonocholine Any psychotropic drug that induces anxiety or panic. Wikipedia:Anxiogenic panicogenic anxiogenic Any pathway inhibitor that inhibits the Hedgehog signalling pathway. Hedgehog pathway inhibitor Hedgehog pathway inhibitors Hedgehog signaling pathway inhibitors CHEBI:140921 Hedgehog signaling pathway inhibitor A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines. C3H6Cl2 CC(CCl)Cl 1,2-dichloropropane A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group. 4-hydroxynonenal Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms. CAS:220620-09-7 DrugBank:DB00560 Drug_Central:2661 PMID:17194827 PMID:17210772 PMID:17220399 PMID:17307973 PMID:17353238 PMID:17353249 Reaxys:8379453 (4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide CHEBI:149836 tigecycline CAS:220620-09-7 ChemIDplus Drug_Central:2661 DrugCentral PMID:17194827 ChEMBL PMID:17210772 ChEMBL PMID:17220399 ChEMBL PMID:17307973 ChEMBL PMID:17353238 ChEMBL PMID:17353249 ChEMBL Reaxys:8379453 Reaxys The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. Wikipedia:Acetaldehyde acetaldehyde An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. CAS:56-65-5 DrugBank:DB00171 adenosine 5'-triphosphate adenosine triphosphate ATP The oxidised form of nicotinamide adenine dinucleotide found in all living cells. In metabolism, NAD(+) is involved in redox reactions, carrying electrons from one reaction to another. NAD(+) A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues. polynucleotide CAS:86-01-1 DrugBank:DB04137 guanosine 5'-triphosphate GTP A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxy group of ethanolamine. DrugBank:DB04327 PtdEtn phosphatidylethanolamine A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3β-hydroxy group. C27H46O C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C Wikipedia:cholesterol cholesterol IMR:0001353 ISBN:0815340729 1-O-(3-sn-phosphatidyl)-1D-myo-inositol 3,4-bis(dihydrogen phosphate) 1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate PtsIns(3,4)P2 PtsIns-3,4-P2 1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate ISBN:0815340729 ISBN:0815340729 A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. C2H6O CCO ethanol A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. C5H6O8PR3 phospholipid A monohydroxy-5β-cholanic acid with aα-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. C24H40O3 [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@H](O)C2 lithocholic acid A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. A nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. Adenosine itself is a neurotransmitter. DrugBank:DB00640 Adenine riboside Adenosine Ribofuranosyladenine adenosine A nucleoside that is composed of adenine and d-ribose. Adenosine or adenosine derivatives play many important biological roles in addition to being components of DNA and RNA. Adenosine itself is a neurotransmitter. MeSH:D000241 A derivative of glycerol in which one hydroxy group, commonly but not necessarily primary, is esterified with phosphoric acid and the other two are esterified with fatty acids. phosphatidic acid A bile acid that is 5β-cholan-24-oic acid bearing threeα-hydroxy substituents at position 3, 7 and 12. InChIKey:BHQCQFFYRZLCQQ-OELDTZBJSA-N cholic acid A sphing-4-enine in which the double bond is trans. IMR:0100178 Sphingenine Sphingoid sphingosine Liposaccharide natural compounds consisting of a trisaccharide repeating unit (two heptose units and octulosonic acid) with oligosaccharide side chains and 3-hydroxytetradecanoic acid units (they are a major constituent of the cell walls of Gram-negative bacteria). LPS Lipopolysaccharide (LPS) is a glycosylated lipid on the outer surface of Gram-negative bacteria acts as immunostimulants. liposaccharide Lipopolysaccharide (LPS) is a glycosylated lipid on the outer surface of Gram-negative bacteria acts as immunostimulants. ISBN:0815340729 The 17beta-isomer of estradiol. 17β-Estradiol NADPH is the reduced form of NADP+; used in anabolic reactions, such as lipid and nucleic acid synthesis, which require NADPH as a reducing agent. CHEBI:16474 Wikipedia:NADPH 2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate} InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 NADP-reduced NADPH A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom. nitric oxide A member of the class of chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2. C2HCl3 ClC=C(Cl)Cl CAS:79-01-6 Wikipedia:Trichloroethylene 1,1,2-trichloroethene trichloroethylene IMR:0001352 1-O-(3-sn-phosphatidyl)-1D-myo-inositol 3,4,5-tris(dihydrogen phosphate) 1-Phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate Phosphatidylinositol-3,4,5-trisphosphate 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate PIP3 PtsIns(3,4,5)P3 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. carbohydrate A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations. Beilstein:752696 CAS:54965-21-8 DrugBank:DB00518 Drug_Central:103 LINCS:LSM-3782 PMID:22152396 PMID:24403707 PMID:24411094 Pesticides:albendazole Reaxys:752696 Albendazole albendazole methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate (5-(propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester 5-(propylthio)-2-carbomethoxyaminobenzimidazole Albenza Eskazole O-methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate Proftril Valbazen Zentel CHEBI:16664 albendazole Beilstein:752696 Beilstein CAS:54965-21-8 ChemIDplus Drug_Central:103 DrugCentral PMID:22152396 Europe PMC PMID:24403707 Europe PMC PMID:24411094 Europe PMC Pesticides:albendazole Alan Wood's Pesticides Reaxys:752696 Reaxys Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc. peptide A phosphatidylinositol in which the inositol moiety is the 1D-myo isomer and the phosphatidyl group is located at its position 1. C11H17O13P [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)OP(OC[C@@H](COC(*)=O)OC(=O)*)(=O)O)O PMID:28600633 1-O-(3-sn-phosphatidyl)-1D-myo-inositol 1-phosphatidyl-1D-myo-inositol A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond. guanosine A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. A dihydroxy-5β-cholanic acid that is (5β)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. InChIKey:RUDATBOHQWOJDD-BSWAIDMHSA-N Beilstein:3219887 CAS:474-25-9 DrugBank:DB06777 Drug_Central:4361 LINCS:LSM-5353 LIPID_MAPS_instance:LMST04010032 PMID:11530998 PMID:16037564 PMID:24448653 PMID:24464484 Reaxys:3219887 3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid Chenodeoxycholic acid 3alpha,7alpha-Dihydroxy-5beta-cholanic acid 7alpha-hydroxylithocholic acid CDCA Chenix Chenodiol anthropodeoxycholic acid anthropodesoxycholic acid chenic acid gallodesoxycholic acid CHEBI:16755 chenodeoxycholic acid Beilstein:3219887 Beilstein CAS:474-25-9 ChemIDplus Drug_Central:4361 DrugCentral LIPID_MAPS_instance:LMST04010032 LIPID MAPS PMID:11530998 Europe PMC PMID:16037564 Europe PMC PMID:24448653 Europe PMC PMID:24464484 Europe PMC Reaxys:3219887 Reaxys A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase. A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase. CAS:20398-34-9 Adenosine 5'-monophosphate AMP A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. C10H17N3O6S N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O DrugBank:DB00143 Wikipedia:Glutathione Glutathione 5-L-Glutamyl-L-cysteinylglycine GSH Reduced glutathione L-gamma-glutamyl-L-cysteinylglycine A coenzyme found in all living cells; consists of two nucleotides joined through their 5'-phosphate groups, with one nucleotide containing an adenine base and the other containing nicotinamide. DrugBank:DB00157 Wikipedia:Nicotinamide_adenine_dinucleotide NADH A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. C7H6O3 OC(=O)c1ccccc1O CAS:69-72-7 DrugBank:DB00936 Wikipedia:Salicylic_acid 2-hydroxybenzoic acid salicylic acid Derivatives of phosphoglycerols which have only one of the alcohol groups of the glycerol backbone ester-linked with a fatty acid. lysophospholipids monoacylglycerol phosphates monoacylglycerophosphate monoacylglycerophosphates Lysophospholipid monoacylglycerol phosphate A member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin. C33H36N4O6 CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C Wikipedia:Bilirubin bilirubin High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms. DNA deoxyribonucleic acid An aldohexose used as a source of energy and metabolic intermediate. glucose An estrogen that has formula C18H22O2. ATC:G03CA07 ATC:G03CC04 CASRN:53-16-7 DrugBank:DB00655 InChIKey:DNXHEGUUPJUMQT-CBZIJGRNSA-N estrone An inositol having myo- configuration. Wikipedia:Inositol myo-inositol An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5.. Beilstein:1915399 Beilstein:3653705 CAS:58-22-0 DrugBank:DB00624 Drug_Central:2607 Gmelin:538843 LIPID_MAPS_instance:LMST02020002 PMID:10438974 PMID:11786693 PMID:18900503 PMID:24498482 Reaxys:1915399 17beta-hydroxyandrost-4-en-3-one TESTOSTERONE Testosterone testosterone 17beta-Hydroxy-4-androsten-3-one 17beta-hydroxy-4-androsten-3-one 4-androsten-17beta-ol-3-one Androderm Testosteron testosterona testosterone testosteronum CHEBI:17347 testosterone Beilstein:1915399 Beilstein Beilstein:3653705 Beilstein CAS:58-22-0 ChemIDplus CAS:58-22-0 NIST Chemistry WebBook Drug_Central:2607 DrugCentral Gmelin:538843 Gmelin LIPID_MAPS_instance:LMST02020002 LIPID MAPS PMID:10438974 Europe PMC PMID:11786693 Europe PMC PMID:18900503 Europe PMC PMID:24498482 Europe PMC Reaxys:1915399 Reaxys The parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene. C15H13NO C(=O)(NC=1C=C2C(C=3C(C2)=CC=CC3)=CC1)C CAS:53-96-3 Wikipedia:2-Acetylaminofluorene N-(9H-fluoren-2-yl)acetamide 2-AAF 2-Acetylaminofluorene 2-acetamidofluorene A cytidine 5'-phosphate that has formula C9H14N3O8P. CMP A compound RC(2O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. aldehyde A glycerophosphoglycerol that is glycerol in which the hydrogen of one of the primary hydroxy groups has been replaced by a phosphatidyl group. phosphatidylglycerol A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. Beilstein:5382060 CAS:95058-81-4 DrugBank:DB00441 Drug_Central:1283 LINCS:LSM-5333 PMID:11034044 PMID:11061612 PMID:11088063 PMID:11122828 PMID:11132538 PMID:11142482 PMID:11221019 PMID:11356111 PMID:11374818 PMID:11489002 PMID:11504793 PMID:11510027 PMID:11585734 PMID:11595724 PMID:11807603 PMID:11859947 PMID:11901308 PMID:12057041 PMID:12057046 PMID:12057157 PMID:12115355 PMID:12142097 PMID:12520460 PMID:12571808 PMID:12722678 PMID:12722691 PMID:12743987 PMID:12761494 PMID:12798170 PMID:12917815 PMID:12954073 PMID:14606642 PMID:14653877 PMID:14720338 PMID:15131028 PMID:15160243 PMID:15221904 PMID:15282439 PMID:15297392 PMID:15542781 PMID:15637766 PMID:15744590 PMID:16001951 PMID:16041610 PMID:16080557 PMID:16143373 PMID:16149285 PMID:16317298 PMID:16500746 PMID:16555971 PMID:16584929 PMID:16807461 PMID:16807463 PMID:16894289 PMID:16905983 PMID:17101674 PMID:17296311 PMID:17296587 PMID:17347561 PMID:17429628 PMID:17460420 PMID:17602464 PMID:17639396 PMID:17887663 PMID:17939651 PMID:17941128 PMID:17987263 PMID:18035967 PMID:18050344 PMID:18086345 PMID:18166944 PMID:18186604 PMID:18257544 PMID:18348652 PMID:18773046 PMID:18789834 PMID:18819792 PMID:18981552 PMID:19034448 PMID:19177022 PMID:19399788 PMID:19839926 PMID:19879060 PMID:22763439 PMID:28594276 PMID:28608357 PMID:28912244 Reaxys:5382060 2'-deoxy-2',2'-difluorocytidine 2',2'-Difluorodeoxycytidine 2'-Deoxy-2',2'-difluorocytidine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one gemcitabina gemcitabine gemcitabinum CHEBI:175901 gemcitabine Beilstein:5382060 Beilstein CAS:95058-81-4 ChemIDplus CAS:95058-81-4 DrugBank Drug_Central:1283 DrugCentral PMID:11034044 Europe PMC PMID:11061612 Europe PMC PMID:11088063 Europe PMC PMID:11122828 Europe PMC PMID:11132538 Europe PMC PMID:11142482 Europe PMC PMID:11221019 Europe PMC PMID:11356111 ChEMBL PMID:11374818 Europe PMC PMID:11489002 Europe PMC PMID:11504793 Europe PMC PMID:11510027 Europe PMC PMID:11585734 Europe PMC PMID:11595724 Europe PMC PMID:11807603 Europe PMC PMID:11859947 Europe PMC PMID:11901308 Europe PMC PMID:12057041 Europe PMC PMID:12057046 Europe PMC PMID:12057157 Europe PMC PMID:12115355 Europe PMC PMID:12142097 Europe PMC PMID:12520460 Europe PMC PMID:12571808 Europe PMC PMID:12722678 Europe PMC PMID:12722691 Europe PMC PMID:12743987 Europe PMC PMID:12761494 Europe PMC PMID:12798170 Europe PMC PMID:12917815 Europe PMC PMID:12954073 Europe PMC PMID:14606642 Europe PMC PMID:14653877 Europe PMC PMID:14720338 Europe PMC PMID:15131028 Europe PMC PMID:15160243 Europe PMC PMID:15221904 Europe PMC PMID:15282439 Europe PMC PMID:15297392 Europe PMC PMID:15542781 Europe PMC PMID:15637766 Europe PMC PMID:15744590 Europe PMC PMID:16001951 Europe PMC PMID:16041610 Europe PMC PMID:16080557 Europe PMC PMID:16143373 Europe PMC PMID:16149285 Europe PMC PMID:16317298 Europe PMC PMID:16500746 Europe PMC PMID:16555971 Europe PMC PMID:16584929 Europe PMC PMID:16807461 Europe PMC PMID:16807463 Europe PMC PMID:16894289 Europe PMC PMID:16905983 Europe PMC PMID:17101674 ChEMBL PMID:17296311 Europe PMC PMID:17296587 Europe PMC PMID:17347561 Europe PMC PMID:17429628 Europe PMC PMID:17460420 Europe PMC PMID:17602464 ChEMBL PMID:17639396 Europe PMC PMID:17887663 ChEMBL PMID:17939651 ChEMBL PMID:17941128 Europe PMC PMID:17987263 Europe PMC PMID:18035967 Europe PMC PMID:18050344 Europe PMC PMID:18086345 Europe PMC PMID:18166944 Europe PMC PMID:18186604 ChEMBL PMID:18257544 ChEMBL PMID:18348652 Europe PMC PMID:18773046 Europe PMC PMID:18789834 Europe PMC PMID:18819792 Europe PMC PMID:18981552 Europe PMC PMID:19034448 Europe PMC PMID:19177022 Europe PMC PMID:19399788 Europe PMC PMID:19839926 Europe PMC PMID:19879060 Europe PMC PMID:22763439 Europe PMC PMID:28594276 Europe PMC PMID:28608357 Europe PMC PMID:28912244 Europe PMC Reaxys:5382060 Reaxys cytidine 5'-(tetrahydrogen triphosphate) CTP cytidine 5'-(tetrahydrogen triphosphate) IUPAC A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. C24H38O4 CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC CAS:117-81-7 DEHP Diethylhexylphthalate bis(2-ethylhexyl) phthalate Ceramides (N-acyl-sphingoid bases) are a major subclass of sphingoid base derivatives with an amide-linked fatty acid. The fatty acids are typically saturated or monounsaturated with chain lengths from 14 to 26 carbon atoms; the presence of a hydroxyl group on carbon 2 is fairly common. Ceramides are generally precursors of more complex sphingolipids. In the illustrated generalised structure, R(1) = OH, OX (where X = acyl, glycosyl, phosphate, phosphonate, etc.), or H. IMR:0100177 Cer N-acylated sphingoid ceramide Gentamicin is a parenterally administered, broad spectrum aminoglycoside antibiotic typically used for moderate to severe gram negative infections. Despite its wide use, gentamicin has not been definitively linked to instances of clinically apparent liver injury. CAS:1403-66-3 DrugBank:DB00798 MeSH:D005839 Open TG-Gates compound_id=00147 https://livertox.nlm.nih.gov//Gentamicin.htm https://pubchem.ncbi.nlm.nih.gov/compound/3467 gentamicin Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids. C6H5O6R3 [*]C(=O)OCC(COC([*])=O)OC([*])=O PMID:2474544 Triacylglycerol triglyceride C20H32N6O12S2 N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O CAS:27025-41-8 DrugBank:DB03310 GSSG Oxidized glutathione Oxiglutatione Glutathione disulfide An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. C8H8O C1OC1c1ccccc1 CAS:96-09-3 Wikipedia:Styrene_oxide 2-phenyloxirane styrene-7,8-oxide styrene oxide C15H13NO2 CC(=O)N(O)c1ccc-2c(Cc3ccccc-23)c1 CAS:53-95-2 N-(9H-fluoren-2-yl)-N-hydroxyacetamide N-OH-AAF N-hydroxy-2-acetylaminofluorene N-hydroxy-2-acetamidofluorene A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid. C22H35N7O17P3SR CAS:9029-97-4 PMID:11264983 PMID:11524729 Acyl coenzyme A Acyl-CoA CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O acyl-CoA 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. Organic molecule that is insoluble in water but tends to dissolve in nonpolar organic solvent. lipid Organic molecule that is insoluble in water but tends to dissolve in nonpolar organic solvent. ISBN:0815340729 A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. Polysaccharide polysaccharides polysaccharide Any phosphatidylinositol that is phosphorylated at one or more of the hydroxy groups of inositol. phosphoinositide An iron group element atom that has atomic number 26. Fe [Fe] CAS:7439-89-6 DrugBank:DB01592 iron iron atom A class of aminophospholipids in which a phosphatidyl group is esterified to the hydroxy group of serine. DrugBank:DB00144 Ptd-L-Ser phosphatidylserine phosphatidyl-L-serine The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. CAS:3483-12-3 DrugBank:DB04447 LINCS:LSM-36870 1,4-dithiothreitol IMR:0200477 IMR:0001350 PI(4,5)P2 PIP2 Phosphatidylinositol-4,5-bisphosphate PtsIns-4,5-P2 PI(4,5)P2 is cleaved by phospholipase C-beta or gamma to generate IP3 and diacylglycerol. 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate PI(4,5)P2 is cleaved by phospholipase C-beta or gamma to generate IP3 and diacylglycerol. ISBN:0815340729 O2 [O][O-] dioxidanidyl superoxide A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase. ATP synthase inhibitor (mitochondrial respiratory-chain inhibitor) Any of a group of related and highly toxic secondary metabolites (mycotoxins) whose main structural feature is a fused coumarin-bis(dihydrofuran) ring system and which are produced by strains of the moulds Aspergillus flavus or A. parasiticus, together with further metabolites of these mycotoxins. aflatoxin alkali metal atom Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. CHEBI:22333 alkylating agent A monoatomic or polyatomic species having one or more elementary charges of the electron. anion A role that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. antioxidants antioxydant antoxidant CHEBI:22586 antioxidant A substance that destroys or inhibits replication of viruses. anti-viral agent anti-viral agents antiviral antiviral agents antivirals CHEBI:22587 antiviral agent Members of the class of pyrimidones consisting of pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) and its derivatives. Largest group of the synthetic sedative/hypnotics, sharing a characteristic six-membered ring structure. barbiturates A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). base CAS:7440-70-2 DrugBank:DB01373 calcium Ca calcium atom An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule. EC 4.2.1.1 (carbonic anhydrase) inhibitors EC 4.2.1.1 inhibitor EC 4.2.1.1 inhibitors anhydrase inhibitor anhydrase inhibitors carbonate anhydrase inhibitor carbonate anhydrase inhibitors carbonate dehydratase inhibitor carbonate dehydratase inhibitors carbonate hydro-lyase (carbon-dioxide-forming) inhibitor carbonate hydro-lyase (carbon-dioxide-forming) inhibitors carbonate hydro-lyase inhibitor carbonate hydro-lyase inhibitors carbonic acid anhydrase inhibitor carbonic acid anhydrase inhibitors carbonic anhydrase (EC 4.2.1.1) inhibitor carbonic anhydrase (EC 4.2.1.1) inhibitors carbonic anhydrase A inhibitor carbonic anhydrase A inhibitors carbonic anhydrase inhibitor carbonic anhydrase inhibitors carboxyanhydrase inhibitor carboxyanhydrase inhibitors CHEBI:23018 EC 4.2.1.1 (carbonic anhydrase) inhibitor A substance intended to sterilize any organism. chemosterilants CHEBI:23092 chemosterilant A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. coenzyme An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Wikipedia:Cofactor_(biochemistry) cofactor Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. molecular entity C12H11N3 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N CAS:60-09-3 Wikipedia:Aniline_Yellow 4-Aminoazobenzene 4-[(E)-phenyldiazenyl]aniline 4-phenyldiazenylaniline AAB 4-(phenylazo)aniline A tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose. CAS:56180-94-0 DrugBank:DB00284 Drug_Central:39 LINCS:LSM-4345 PMID:11937512 PMID:18248270 PMID:25044702 PMID:8893066 PMID:9805641 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose Acarbose Glucobay Precose acarbosa acarbose acarbosum CHEBI:2376 acarbose CAS:56180-94-0 ChemIDplus Drug_Central:39 DrugCentral PMID:11937512 Europe PMC PMID:18248270 Europe PMC PMID:25044702 Europe PMC PMID:8893066 Europe PMC PMID:9805641 Europe PMC Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. Intended use of the molecular entity or part thereof by humans. drugs medicine CHEBI:23888 drug Any member of the group of signalling molecules arising from oxidation of the three C20 essential fatty acids (EFAs) icosapentaenoic acid (EPA), arachidonic acid (AA) and dihomo-gamma-linolenic acid (DGLA). IMR:0001381 eicosanoid icosanoid A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. enzyme inhibitor enzyme inhibitors inhibidor enzimatico inhibidores enzimaticos inhibiteur enzymatique inhibiteurs enzymatiques CHEBI:23924 enzyme inhibitor A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17. InChIKey=VOXZDWNPVJITMN-WKUFJEKOSA-N Wikipedia:Estradiol estradiol A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups. C3H7N3O2 CCN(N=O)C(N)=O CAS:759-73-9 Wikipedia:ENU 1-ethyl-1-nitrosourea N-ethyl-N-nitrosourea Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure. Beilstein:8335547 CAS:91714-94-2 DrugBank:DB00963 Drug_Central:401 LINCS:LSM-5585 [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid 2-amino-3-(4-bromobenzoyl)benzeneacetic acid [2-Amino-3-(4-bromo-benzoyl)-phenyl]-acetic acid bromfenac bromfenaco bromfenacum CHEBI:240107 bromfenac Beilstein:8335547 Beilstein CAS:91714-94-2 ChemIDplus Drug_Central:401 DrugCentral A substance used to destroy fungal pests. fungicides CHEBI:24127 fungicide gamma-GC gamma-glutamylcysteine glycerophosphoglycerols A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. http://purl.obolibrary.org/obo/IMR_0000947 chemical compound chemical entity A role played by the molecular entity or part thereof within a biological context. biological function CHEBI:24432 biological role Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. GO:0005180 endocrine hormones CHEBI:24621 substance with hormone role: http://purl.bioontology.org/ontology/STY/T125 hormone Nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u. proton Compounds having the structure RN=CR2 (R = H, hydrocarbyl). Thus analogues of aldehydes or ketones, having NR doubly bonded to carbon; aldimines have the structure RCH=NR, ketimines have the structure R'2C=NR (where R' is not H). Imines include azomethines and Schiff bases. Imine is used as a suffix in systematic nomenclature to denote the C=NH group excluding the carbon atom. CHEBI:24783 http://jglobal.jst.go.jp/en/detail?JGLOBAL_ID=200906016906308703 http://purl.jp/bio/4/id/200906016906308703 imine inositol Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. insecticides CHEBI:24852 insecticide A molecular entity having a net electric charge. ion An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. C17H12O6 [H][C@]12OC=C[C@@]1([H])c1c(O2)cc(OC)c2c3CCC(=O)c3c(=O)oc12 CAS:1162-65-8 (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione aflatoxin B1 Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite metabolites primary metabolites secondary metabolites CHEBI:25212 metabolite A role played by the entity that inhibits the mitochondrial respiratory-chain. mitochondrial electron transport chain inhibitors mitochondrial respiratory-chain inhibitor Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. molecule An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. Wikipedia:Mutagen mutagene mutagenes mutagenic agent mutageno mutagenos mutagens CHEBI:25435 mutagen Poisonous substance produced by fungi. mycotoxin A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke. C20H16 Cc1c2ccccc2c(C)c2c1ccc1ccccc21 CAS:57-97-6 7,12-dimethylbenz(a)anthracene 7,12-dimethylbenzo[a]anthracene 7,12-dimethyltetraphene A substance used to destroy pests of the phylum Nematoda (roundworms). nematicides nematocide nematocides CHEBI:25491 nematicide An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. IMR:0000967 (obsolete) neurotransmitter N nitrogen atom An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters. organophosphorus compound Inchikey:QVGXLLKOCUKJST-UHFFFAOYSA-N oxygen oxygen atom oxygen molecular entity HO2 [H]O[O] (HO2)(.) hydroperoxyl Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. pesticide Pestizid Pestizide pesticides CHEBI:25944 pesticide CAS:7440-09-7 DrugBank:DB01345 potassium potassium atom The family of natural prostaglandins and prostaglandin-like compounds. prostanoid A molecular entity possessing an unpaired electron. free radical radical Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers. Wikipedia:Reactive_oxygen_species reactive oxygen species Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess. saturated fatty acid A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. C25H29I2NO3 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1 Beilstein:1271711 CAS:1951-25-3 ChemicalBook:CB5310616 DrugBank:DB01118 Drug_Central:176 LINCS:LSM-2379 Open TG-Gates compound_id=00033 PMID:10188629 PMID:16479044 PMID:18368867 (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone Amiodarone 2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran 2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone 2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran amiodarona amiodaronum CHEBI:2663 amiodarone Beilstein:1271711 Beilstein CAS:1951-25-3 ChemIDplus ChemicalBook:CB5310616 https://www.chemicalbook.com/ChemicalProductProperty_EN_CB5310616 Drug_Central:176 DrugCentral PMID:10188629 Europe PMC PMID:16479044 Europe PMC PMID:18368867 Europe PMC An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. C20H23N CN(C)CCC=C1c2ccccc2CCc2ccccc12 CAS:50-48-6 DrugBank:DB00321 LINCS:LSM-3190 MeSH:D000639 Patent:WO2011089289 Wikipedia:Amitriptyline 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine amitriptyline sodium atom Sphingolipids are a complex family of compounds that share a common structural feature, a sphingoid base backbone. sphingolipid CAS:7704-34-9 sulfur sulfur atom A class of oxygenated oxane derivatives, originally derived from prostaglandin precursors in platelets, that stimulate aggregation of platelets and constriction of blood vessels. IMR:0100020 TX thromboxane Poisonous substance produced by a biological organism such as a microbe, animal or plant. Wikipedia:Toxin toxin A chemical compound containing three hydroxy groups. triol An oxopurine that is the final oxidation product of purine metabolism. uric acid A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. CCl4 ClC(Cl)(Cl)Cl CAS:56-23-5 LINCS:LSM-37019 Wikipedia:Carbon_Tetrachloride CCl4 Carbon tetrachloride tetrachloromethane CAS:7440-44-0 Inchikey:OKTJSMMVPCPJKN-UHFFFAOYSA-N carbon carbon atom Beilstein:212994 CAS:59-66-5 DrugBank:DB00819 Drug_Central:56 Gmelin:365421 LINCS:LSM-5543 Acetazolamide N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide 2-acetylamino-1,3,4-thiadiazole-5-sulfonamide 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE 5-acetylamino-1,3,4-thiadiazole-2-sulfonamide Defiltran Diacarb Diamox Diluran Glaupax N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide N-[5-(aminosulfonyl)-1,3,5-thiadiazol-2-yl]acetamide acetazolamida acetazolamide acetazolamidum CHEBI:27690 acetazolamide Beilstein:212994 Beilstein CAS:59-66-5 ChemIDplus CAS:59-66-5 NIST Chemistry WebBook Drug_Central:56 DrugCentral Gmelin:365421 Gmelin An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. Beilstein:95226 CAS:126-07-8 DrugBank:DB00400 Drug_Central:1331 LINCS:LSM-5259 LIPID_MAPS_instance:LMPK13060001 PMID:14407521 PMID:15078340 PMID:16922553 PMID:23111828 PMID:25476923 PMID:3277037 Reaxys:95226 (2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione Griseofulvin (+)-griseofulvin Curling factor Fulcin Fulvicin Grifulvin Grisactin Grisovin Grysio Lamoryl Likuden Poncyl Spirofulvin Sporostatin amudane griseofulvin griseofulvina griseofulvine griseofulvinum CHEBI:27779 griseofulvin Beilstein:95226 Beilstein CAS:126-07-8 ChemIDplus CAS:126-07-8 NIST Chemistry WebBook Drug_Central:1331 DrugCentral LIPID_MAPS_instance:LMPK13060001 LIPID MAPS PMID:14407521 Europe PMC PMID:15078340 Europe PMC PMID:16922553 Europe PMC PMID:23111828 Europe PMC PMID:25476923 Europe PMC PMID:3277037 Europe PMC Reaxys:95226 Reaxys A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. C14H12O3 [H]C(=C([H])c1cc(O)cc(O)c1)c1ccc(O)cc1 CAS:501-36-0 DrugBank:DB02709 LINCS:LSM-2557 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol resveratrol A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. C22H24N2O8 [H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C CAS:60-54-8 DrugBank:DB00759 Wikipedia:Tetracycline (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide tetracycline A member of the class of rifamycins that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei) CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CCN(C)CC1)c(O)c4c3C2=O CASRN:13292-46-1 DrugBank:DB01045 Wikipedia:Rifampicin rifampicin A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues. CAS:9005-79-2 glycogen A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. CAS:58-74-2 DrugBank:DB01113 Drug_Central:2056 LINCS:LSM-2338 PMID:11971205 PMID:24414229 Reaxys:312930 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline CHEBI:28241 papaverine CAS:58-74-2 ChemIDplus CAS:58-74-2 NIST Chemistry WebBook Drug_Central:2056 DrugCentral PMID:11971205 Europe PMC PMID:24414229 Europe PMC Reaxys:312930 Reaxys A monocarboxylic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. C17H11NO7 COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O CAS:313-67-7 8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid aristolochic acid A phosphatidylglycerol composed of two molecules of phosphatidic acid covalently linked to a molecule of glycerol. Wikipedia:cardiolipin cardiolipin A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. C2H3Cl ClC=C CAS:75-01-4 Wikipedia:Chloroethene Vinyl chloride クロロエチレン 塩化ビニル chloroethene A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties. Beilstein:89175 CAS:147-94-4 DrugBank:DB00987 Drug_Central:770 LINCS:LSM-5470 PMID:15492802 Reaxys:89175 4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one Cytarabine 1-beta-D-Arabinofuranosylcytosine 4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone Arabinoside C Cytosine arabinoside Cytosine-1-beta-D-arabinofuranoside ara-C arabinocytosine citarabina cytarabine cytarabinum cytosine-beta-D-arabinofuranoside CHEBI:28680 cytarabine Beilstein:89175 Beilstein CAS:147-94-4 ChemIDplus Drug_Central:770 DrugCentral PMID:15492802 Europe PMC Reaxys:89175 Reaxys A ketohexose that is an isomer of glucose. fructose Any member of the phosphoinositide family of compounds, of which seven occur naturally. phosphatidylinositol phosphate A chromenone having the keto group located at the 2-position. C=1C=CC=C2C1C=CC(=O)O2 DrugBank:DB04665 PMID:28166217 Wikipedia:Coumarin coumarin A bile acid that is 5β-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. InChIKey:KXGVEGMKQFWNSR-LLQZFEROSA-N deoxycholic acid Any glycerophosphoinositol having one phosphatidyl group esterified to one of the hydroxy groups of inositol. IMR:0001651 PI phosphatidylinositol C14H8O3 Oc1cccc2C(=O)c3ccccc3C(=O)c12 CAS:129-43-1 1-hydroxyanthracene-9,10-dione 1-hydroxyanthraquinone A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant. Beilstein:1791786 CAS:55-98-1 DrugBank:DB01008 Drug_Central:438 LINCS:LSM-5388 PMID:10523796 PMID:19361744 PMID:19611402 Reaxys:1791786 Busulfan butane-1,4-diyl dimethanesulfonate 1,4-Bis(methanesulfonoxy)butane 1,4-Butanediol dimethanesulfonate 1,4-Dimesyloxybutane 1,4-Dimethanesulfonoxybutane Bisulfex Leucosulfan Mablin Mielucin Misulban Mitostan Myeloleukon Myleran Tetramethylene bis(methanesulfonate) busulfan busulfano busulfanum CHEBI:28901 busulfan Beilstein:1791786 Beilstein CAS:55-98-1 ChemIDplus Drug_Central:438 DrugCentral PMID:10523796 Europe PMC PMID:19361744 Europe PMC PMID:19611402 Europe PMC Reaxys:1791786 Reaxys A ketoimine that has formula C8H7NO2. CHEBI:29132 http://www.reactome.org/cgi-bin/eventbrowser_st_id?ST_ID=R-HSA-76397 N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3 NAPQI N-acetyl-1,4-benzoquinone imine N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide IUPAC NAME HO [O][H] hydroxyl A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS. CAS:446-86-6 DrugBank:DB00993 Drug_Central:269 PMID:11064448 PMID:15199672 PMID:15476481 PMID:15628319 PMID:15973722 PMID:16344342 PMID:16397313 PMID:16764353 PMID:16954801 PMID:17381669 PMID:17970886 PMID:18008354 PMID:18336531 PMID:19243907 PMID:20080917 PMID:25248004 PMID:25314066 PMID:25440430 PMID:25443086 PMID:25581826 PMID:25641386 PMID:28166217 PMID:8738760 PMID:9273463 PMID:9345422 Reaxys:1225351 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine 6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine Imuran (TN) CHEBI:2948 azathioprine CAS:446-86-6 ChemIDplus Drug_Central:269 DrugCentral PMID:11064448 Europe PMC PMID:15199672 Europe PMC PMID:15476481 Europe PMC PMID:15628319 Europe PMC PMID:15973722 Europe PMC PMID:16344342 Europe PMC PMID:16397313 Europe PMC PMID:16764353 Europe PMC PMID:16954801 Europe PMC PMID:17381669 Europe PMC PMID:17970886 Europe PMC PMID:18008354 Europe PMC PMID:18336531 Europe PMC PMID:19243907 Europe PMC PMID:20080917 Europe PMC PMID:25248004 Europe PMC PMID:25314066 Europe PMC PMID:25440430 Europe PMC PMID:25443086 Europe PMC PMID:25581826 Europe PMC PMID:25641386 Europe PMC PMID:28166217 Europe PMC PMID:8738760 Europe PMC PMID:9273463 Europe PMC PMID:9345422 Europe PMC Reaxys:1225351 Reaxys CAS:191114-48-4 Drug_Central:2581 TELITHROMYCIN Telithromycin (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside HMR 3647 HMR-3647 HMR3647 RU 66647 RU-66647 RU66647 CHEBI:29688 telithromycin Drug_Central:2581 DrugCentral A mixture of antiviral nucleoside antibiotics produced by Streptomyces lysosuperificus. It contains at least 10 homologues comprising uracil, N-acetylglucosamine, an 11-carbon aminodialdose called tunicamine, and a fatty acid linked to the amino group of the tunicamine. The homologues vary in the composition of the fatty acid moiety. CAS:11089-65-9 Open TG-Gates compound_id:00A02 Wikipedia:Tunicamycin tunicamycin 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. Beilstein:273668 CAS:3562-84-3 Drug_Central:318 LINCS:LSM-2239 PMID:18636784 PMID:26693855 PMID:26792818 PMID:27391386 PMID:28131653 PMID:28166217 PMID:28202260 PMID:7661033 (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone Benzbromarone 2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran 3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone Uroleap (TN) CHEBI:3023 benzbromarone Beilstein:273668 Beilstein CAS:3562-84-3 ChemIDplus Drug_Central:318 DrugCentral PMID:18636784 Europe PMC PMID:26693855 Europe PMC PMID:26792818 Europe PMC PMID:27391386 Europe PMC PMID:28131653 Europe PMC PMID:28166217 Europe PMC PMID:28202260 Europe PMC PMID:7661033 Europe PMC C17H12O7 [H][C@@]12Oc3cc(OC)c4c5CCC(=O)c5c(=O)oc4c3[C@]1([H])[C@@]1([H])O[C@@]1([H])O2 CAS:42583-46-0 6aS,7aS,8aR,8bR)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione aflatoxin B1 exo-8,9-epoxide CCl3 Cl[C](Cl)Cl trichloromethyl(.) A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom. HOR O[*] alcohol A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. Beilstein:5364666 CAS:90357-06-5 DrugBank:DB01128 Drug_Central:367 LINCS:LSM-1437 PMID:11915584 PMID:12015321 PMID:12017896 PMID:12421104 PMID:12959312 PMID:15509184 PMID:17313204 PMID:18062751 PMID:19194583 PMID:23527766 PMID:30784326 PMID:31099426 Reaxys:5364666 rac-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (+-)-bicalutamide (RS)-4'-cyano-alpha',alpha',alpha',-trifluoro-3-(4-fluorophenylsulphonyl)-2-hydroxy-2-methylpropiono-m-toluidide (RS)-bicalutamide Bicadex Bical Bicalox Bicamide Bicatlon Bicusan Binabic Bypro Calumid Calutide Calutol Casodex Cosudex ICI 176,334 ICI 176334 ICI-176334 Kalumid Ormandyl bicalutamida bicalutamide bicalutamidum racemic bicalutamide CHEBI:3090 bicalutamide Beilstein:5364666 Beilstein CAS:90357-06-5 ChemIDplus CAS:90357-06-5 NIST Chemistry WebBook Drug_Central:367 DrugCentral PMID:11915584 Europe PMC PMID:12015321 Europe PMC PMID:12017896 Europe PMC PMID:12421104 Europe PMC PMID:12959312 Europe PMC PMID:15509184 Europe PMC PMID:17313204 Europe PMC PMID:18062751 Europe PMC PMID:19194583 Europe PMC PMID:23527766 Europe PMC PMID:30784326 Europe PMC PMID:31099426 Europe PMC Reaxys:5364666 Reaxys A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. C2HCl3O2 OC(=O)C(Cl)(Cl)Cl CAS:76-03-9 trichloroacetic acid An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. CAS:22131-79-9 Drug_Central:107 PMID:18796 PMID:19205 PMID:21068 PMID:236805 PMID:237493 PMID:241593 PMID:241595 PMID:241596 PMID:241597 PMID:241598 PMID:241600 PMID:241601 PMID:241602 PMID:241603 PMID:24426 PMID:4279126 PMID:509935 PMID:6103793 PMID:6106453 PMID:6109575 PMID:6120697 PMID:6141199 PMID:7853459 PMID:7905004 Reaxys:2116510 [3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid (4-Allyloxy-3-chlorphenyl)essigsaeure 3-Chloro-4-(2-propenyloxy)benzeneacetic acid [4-(allyloxy)-3-chlorophenyl]acetic acid alclofenac alclofenaco alclofenacum CHEBI:31183 alclofenac CAS:22131-79-9 ChemIDplus Drug_Central:107 DrugCentral PMID:18796 Europe PMC PMID:19205 Europe PMC PMID:21068 Europe PMC PMID:236805 Europe PMC PMID:237493 Europe PMC PMID:241593 Europe PMC PMID:241595 Europe PMC PMID:241596 Europe PMC PMID:241597 Europe PMC PMID:241598 Europe PMC PMID:241600 Europe PMC PMID:241601 Europe PMC PMID:241602 Europe PMC PMID:241603 Europe PMC PMID:24426 Europe PMC PMID:4279126 Europe PMC PMID:509935 Europe PMC PMID:6103793 Europe PMC PMID:6106453 Europe PMC PMID:6109575 Europe PMC PMID:6120697 Europe PMC PMID:6141199 Europe PMC PMID:7853459 Europe PMC PMID:7905004 Europe PMC Reaxys:2116510 Reaxys A monocarboxylic acid that is glycolic acid in which the hydrogen attached to the 2-hydroxy group is replaced by a 1-benzyl-1H-indazol-3-yl group. Although it has anti-inflammatory, antinecrotic, choleretic and antilipidaemic properties and has been used for the treatment of various inflammatory skin disorders, its principal effect is to inhibit the denaturation of proteins. Its lysine salt is used in the management of cataracts. CAS:20187-55-7 Drug_Central:303 PMID:1809299 PMID:2190795 PMID:3176111 PMID:3508133 PMID:3817034 PMID:4099158 PMID:4389308 PMID:5746786 PMID:8483582 PMID:8736488 Reaxys:893958 [(1-benzyl-1H-indazol-3-yl)oxy]acetic acid BRN 0893958 EINECS 243-569-2 Iwazac UNII-G4AG71204O bendazac bendazaco bendazacum bendazolic acid CHEBI:31257 bendazac CAS:20187-55-7 ChemIDplus Drug_Central:303 DrugCentral PMID:1809299 Europe PMC PMID:2190795 Europe PMC PMID:3176111 Europe PMC PMID:3508133 Europe PMC PMID:3817034 Europe PMC PMID:4099158 Europe PMC PMID:4389308 Europe PMC PMID:5746786 Europe PMC PMID:8483582 Europe PMC PMID:8736488 Europe PMC Reaxys:893958 Reaxys CAS:2624-43-3 Drug_Central:753 Cyclofenil cyclofenyl cyclopenil cyclophenil cyclophenyl fertodur ondogyne CHEBI:31446 Cyclofenil Drug_Central:753 DrugCentral A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. CAS:144060-53-7 DrugBank:DB04854 Drug_Central:1137 LINCS:LSM-3064 PMID:25724536 PMID:30844048 PMID:30919894 PMID:31267805 PMID:31332638 PMID:31335677 PMID:31378626 PMID:31447893 PMID:31449565 PMID:31499267 PMID:31531831 PMID:31560952 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid Adenuric Donifoxate Febuday Feburic Goturic Goutex TEI 6720 TEI-6720 TMX 67 TMX-67 Uloric Zurig febuxostat febuxostatum CHEBI:31596 febuxostat CAS:144060-53-7 ChemIDplus Drug_Central:1137 DrugCentral PMID:25724536 Europe PMC PMID:30844048 Europe PMC PMID:30919894 Europe PMC PMID:31267805 Europe PMC PMID:31332638 Europe PMC PMID:31335677 Europe PMC PMID:31378626 Europe PMC PMID:31447893 Europe PMC PMID:31449565 Europe PMC PMID:31499267 Europe PMC PMID:31531831 Europe PMC PMID:31560952 Europe PMC A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market. Beilstein:497124 CAS:3820-67-5 Drug_Central:1297 LINCS:LSM-4419 PMID:19567678 PMID:2210868 Reaxys:497124 2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate 2,3-Dihydroxypropyl N-(7-chloro-4-quinolyl) anthranilate 4-((2-Carboxyphenyl)amino)-7-chloroquinoline alpha-monoglyceride 4-(2'-beta,gamma-Dihydroxypropoxycarbonylphenylamino)-7-chloroquinoline Glafenin Glaphenin Glaphenine Glicafan Glifan Glifanan Glycerylaminophenaquine glafenina glafenine glafeninum CHEBI:31653 glafenine Beilstein:497124 Beilstein CAS:3820-67-5 ChemIDplus CAS:3820-67-5 NIST Chemistry WebBook Drug_Central:1297 DrugCentral PMID:19567678 Europe PMC PMID:2210868 Europe PMC Reaxys:497124 Reaxys A dicarboxylic acid amide in which a parent structure of amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class. It is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir. C37H48N4O5 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 CAS:192725-17-0 DrugBank:DB01601 LINCS:LSM-6027 MeSH:D061466 (2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide lopinavir The simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. A liquid at room temperature (m.p. -30degreeC; b.p.760 156degreeC), it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis. C6H5Br Brc1ccccc1 CAS:108-86-1 MetaCyc:BROMOBENZENE PMID:10996478 PMID:24318069 Reaxys:1236661 Wikipedia:Bromobenzene bromobenzene A platinum coordination entity that is a commonly used chemothrepeutic drug for treatment of colorectal cancer. CAS:61825-94-3 CAS:63121-00-6 DrugBank:DB00526 Gmelin:1046012 Gmelin:28892 LINCS:LSM-6352 PMID:11300320 PMID:14755010 PMID:15477639 PMID:17347561 PMID:18440088 PMID:19138416 PMID:19735649 PMID:27756654 PMID:28186109 PMID:28398406 PMID:28415810 PMID:28499428 PMID:28505615 PMID:28624791 PMID:28642473 PMID:28654098 PMID:28695397 PMID:28762171 PMID:28777427 PMID:28800641 PMID:28811232 PMID:28812173 PMID:28837658 PMID:28876454 PMID:28881354 PMID:28881481 PMID:28884286 PMID:28894576 PMID:28924870 PMID:28938919 Reaxys:15700099 (SP-4-2)[(1R,2R)-cyclohexane-1,2-diamine-kappa(2)N,N'][ethanedioato(2-)-kappa(2)O(1),O(2)]platinum Oxaliplatin (SP-4-2-(1R-trans))-(1,2-cyclohexanediamine-N,N')(ethanedioato(2-)-O,O')platinum Eloxatin oxalato(1,2-diaminocyclohexane)platinum(II) oxaliplatin oxaliplatine oxaliplatino oxaliplatinum CHEBI:31941 oxaliplatin CAS:63121-00-6 ChemIDplus Gmelin:1046012 Gmelin Gmelin:28892 Gmelin PMID:11300320 Europe PMC PMID:14755010 Europe PMC PMID:15477639 Europe PMC PMID:17347561 Europe PMC PMID:18440088 Europe PMC PMID:19138416 Europe PMC PMID:19735649 Europe PMC PMID:27756654 Europe PMC PMID:28186109 Europe PMC PMID:28398406 Europe PMC PMID:28415810 Europe PMC PMID:28499428 Europe PMC PMID:28505615 Europe PMC PMID:28624791 Europe PMC PMID:28642473 Europe PMC PMID:28654098 Europe PMC PMID:28695397 Europe PMC PMID:28762171 Europe PMC PMID:28777427 Europe PMC PMID:28800641 Europe PMC PMID:28811232 Europe PMC PMID:28812173 Europe PMC PMID:28837658 Europe PMC PMID:28876454 Europe PMC PMID:28881354 Europe PMC PMID:28881481 Europe PMC PMID:28884286 Europe PMC PMID:28894576 Europe PMC PMID:28924870 Europe PMC PMID:28938919 Europe PMC Reaxys:15700099 Reaxys A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. C29H41NO4 [H][C@@]1(C[C@]23CC[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@@]31c45)CC1CC1)[C@](C)(O)C(C)(C)C CAS:52485-79-7 DrugBank:DB00921 Wikipedia:Buprenorphine (5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol buprenorphine CAS:150683-30-0 Drug_Central:4110 Tolvaptan OPC 41061 OPC-41061 jinarc CHEBI:32246 Tolvaptan Drug_Central:4110 DrugCentral A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. C22H27NO2 OC(=O)CCCCCCNC1c2ccccc2CCc2ccccc12 Beilstein:2170218 CAS:57574-09-1 DrugBank:DB04836 Drug_Central:161 PMID:2131927 PMID:2141246 PMID:2698268 PMID:7609861 PMID:9347390 Reaxys:2170218 Wikipedia:Amineptine 7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)heptanoic acid Amineptin Survector amineptine amineptino amineptinum CHEBI:32499 amineptine Beilstein:2170218 Beilstein CAS:57574-09-1 ChemIDplus CAS:57574-09-1 NIST Chemistry WebBook Drug_Central:161 DrugCentral PMID:2131927 Europe PMC PMID:2141246 Europe PMC PMID:2698268 Europe PMC PMID:7609861 Europe PMC PMID:9347390 Europe PMC Reaxys:2170218 Reaxys C14H14ClN3O2S Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C CAS:50892-23-4 LINCS:LSM-2015 PubChem:17396608 Wikipedia:Pirinixic_Acid ({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid WY14643 pirinixic acid Any monoacylglycerol phosphate obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid or derivatives therein. lysophosphatidic acids A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any long-chain (C13 to C22) fatty acid. C22H35N7O17P3SR CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O PMID:10224157 PMID:14516204 PMID:16357361 PMID:17652214 LCFA-coenzyme A long-chain fatty acyl-CoA A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antitubercular antitubercular agents antitubercular drug antitubercular drugs tuberculostatic agent CHEBI:33231 antitubercular agent A chemical entity constituting the smallest component of an element having the chemical properties of the element. atom chemical messenger CHEBI:33280 molecular messenger A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. PMID:12964249 PMID:22117953 PMID:22439833 PMID:22849268 PMID:22849276 PMID:22958833 Antibiotika Antibiotikum antibiotic antibiotics antibiotique antimicrobial antimicrobial agents antimicrobials microbicide microbicides CHEBI:33281 antimicrobial agent PMID:12964249 Europe PMC PMID:22117953 Europe PMC PMID:22439833 Europe PMC PMID:22849268 Europe PMC PMID:22849276 Europe PMC PMID:22958833 Europe PMC A substance (or active part thereof) that kills or slows the growth of bacteria. A substance that kills or slows the growth of bacteria. antibacterial agents antibacterials bactericide bactericides CHEBI:33282 antibacterial agent Any material that can be ingested by an organism. food role metal atom A macromolecule formed by a living organism. biomacromolecule A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid. nucleic acid ribonucleic acid High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins. RNA ribonucleic acid A carboxylic acid containing one or more amino groups. Organic compounds that generally contain an amino (-NH2) and a carboxyl (-COOH) group. Twenty alpha-amino acids are the subunits which are polymerized to form proteins. amino acid Organic compounds that generally contain an amino (-NH2) and a carboxyl (-COOH) group. Twenty alpha-amino acids are the subunits which are polymerized to form proteins. MeSH:D000596 An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents. nucleoside Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. C6HOR5 C1(=C(C(=C(C(=C1*)*)*)*)*)O Wikipedia:Phenols Aryl alcohol phenols A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. Beilstein:1246090 CAS:298-46-4 DrugBank:DB00564 Drug_Central:489 LINCS:LSM-3610 PMID:10411478 PMID:11071486 PMID:11129121 PMID:11240598 PMID:11475584 PMID:11595204 PMID:11888243 PMID:11891095 PMID:12073283 PMID:12228880 PMID:12475188 PMID:12749779 PMID:12799799 PMID:12957643 PMID:14160216 PMID:14572037 PMID:14581052 PMID:14713026 PMID:14723323 PMID:15165631 PMID:15557493 PMID:15665743 PMID:15683742 PMID:15739418 PMID:15820347 PMID:15850602 PMID:16033627 PMID:16150575 PMID:16245817 PMID:16380297 PMID:16394456 PMID:16437428 PMID:16538175 PMID:16562645 PMID:16616830 PMID:16990009 PMID:17027750 PMID:17028629 PMID:17207414 PMID:17582711 PMID:17873967 PMID:17949959 PMID:18163657 PMID:18415623 PMID:18637155 PMID:18652684 PMID:18656520 PMID:18969759 PMID:19135617 PMID:19473818 PMID:19741433 PMID:19921623 PMID:22322005 PMID:27967303 PMID:7602118 Reaxys:1246090 5H-dibenzo[b,f]azepine-5-carboxamide 5-Carbamoyl-5H-dibenz(b,f)azepine 5-Carbamoyl-5H-dibenzo(b,f)azepine 5-Carbamyl-5H-dibenzo(b,f)azepine 5-carbamoyl-5H-dibenz[b,f]azepine 5H-Dibenz(b,f)azepine-5-carboxamide Carbamazepen Carnexiv carbamazepina carbamazepine carbamazepinum CHEBI:3387 carbamazepine Beilstein:1246090 Beilstein CAS:298-46-4 ChemIDplus CAS:298-46-4 NIST Chemistry WebBook Drug_Central:489 DrugCentral PMID:10411478 ChEMBL PMID:11071486 Europe PMC PMID:11129121 Europe PMC PMID:11240598 Europe PMC PMID:11475584 Europe PMC PMID:11595204 Europe PMC PMID:11888243 Europe PMC PMID:11891095 Europe PMC PMID:12073283 Europe PMC PMID:12228880 Europe PMC PMID:12475188 Europe PMC PMID:12749779 Europe PMC PMID:12799799 Europe PMC PMID:12957643 Europe PMC PMID:14160216 Europe PMC PMID:14572037 Europe PMC PMID:14581052 Europe PMC PMID:14713026 Europe PMC PMID:14723323 Europe PMC PMID:15165631 Europe PMC PMID:15557493 Europe PMC PMID:15665743 Europe PMC PMID:15683742 Europe PMC PMID:15739418 Europe PMC PMID:15820347 Europe PMC PMID:15850602 Europe PMC PMID:16033627 Europe PMC PMID:16150575 Europe PMC PMID:16245817 Europe PMC PMID:16380297 Europe PMC PMID:16394456 Europe PMC PMID:16437428 Europe PMC PMID:16538175 Europe PMC PMID:16562645 Europe PMC PMID:16616830 Europe PMC PMID:16990009 Europe PMC PMID:17027750 Europe PMC PMID:17028629 Europe PMC PMID:17207414 Europe PMC PMID:17582711 Europe PMC PMID:17873967 Europe PMC PMID:17949959 Europe PMC PMID:18163657 Europe PMC PMID:18415623 Europe PMC PMID:18637155 Europe PMC PMID:18652684 Europe PMC PMID:18656520 Europe PMC PMID:18969759 Europe PMC PMID:19135617 Europe PMC PMID:19473818 Europe PMC PMID:19741433 Europe PMC PMID:19921623 Europe PMC PMID:22322005 Europe PMC PMID:27967303 Europe PMC PMID:7602118 Europe PMC Reaxys:1246090 Reaxys CAS:1477-19-6 Drug_Central:317 Benzarone 2-Ethyl-3-(4-hydroxybenzoyl)benzofuran benzaron CHEBI:34559 benzarone Drug_Central:317 DrugCentral A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom. C4H10N2O CCN(CC)N=O CAS:55-18-5 N-ethyl-N-nitrosoethanamine DEN Diethylnitrosamine N-nitrosodiethylamine A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. antimetabolite antimetabolites CHEBI:35221 antimetabolite A substance that diminishes the rate of a chemical reaction. inhibitor inhibidor inhibiteur inhibitors CHEBI:35222 inhibitor A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction. catalyst Any drug that enhances the activity of the central nervous system. central nervous system stimulant CNS stimulant analeptic analeptic agent analeptic drug analeptics central stimulant CHEBI:35337 central nervous system stimulant Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from triterpenoids. SMILES: C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C steroids steroid Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group. Monosaccharide monosaccharide monosaccharides monosaccharide A substance used in the prophylaxis or therapy of infectious diseases. anti-infective agents anti-infective drugs antiinfective agents antiinfective drug CHEBI:35441 antiinfective agent A substance used to treat or prevent parasitic infections. antiparasitic drugs antiparasitics parasiticides CHEBI:35442 antiparasitic agent Substance intended to kill parasitic worms (helminths). anthelminthic anthelminthics anthelmintic anthelmintics antihelminth antihelmintico vermifuge CHEBI:35443 anthelminthic drug A substance used in the treatment or control of nematode infestations. antinematodal agent antinematodal drugs antinematodals CHEBI:35444 antinematodal drug Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. antidepressant drugs antidepressants thymoanaleptics thymoleptic drugs thymoleptics CHEBI:35469 antidepressant A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. CNS agent CNS drugs central nervous system agents CHEBI:35470 central nervous system drug A loosely defined grouping of drugs that have effects on psychological function. Wikipedia:Psychotropic_drug psychoactive agent psychoactive drugs psychopharmaceuticals psychotropic drugs CHEBI:35471 psychotropic drug A substance that reduces or suppresses inflammation. anti-inflammatory drugs antiinflammatory agent antiinflammatory drug antiinflammatory drugs CHEBI:35472 anti-inflammatory drug A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour. ataractics tranquilising drug tranquilizing drugs tranquillising agent tranquillizing agents CHEBI:35473 tranquilizing drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. anti-anxiety agents anti-anxiety drugs anxiolytic agents anxiolytics minor tranquilisers minor tranquilizers minor tranquilizing agents CHEBI:35474 anxiolytic drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Wikipedia:Non-steroidal_anti-inflammatory_drug NSAID NSAIDs non-steroidal anti-inflammatory agent non-steroidal anti-inflammatory drugs CHEBI:35475 non-steroidal anti-inflammatory drug Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. Neuroleptikum antipsychotic agents antipsychotic drug antipsychotic drugs antipsychotics antipsychotiques grosser Tranquilizer major tranquilizers major tranquilizing agents neuroleptic neuroleptic agents neuroleptics neuroleptique neuroleptiques CHEBI:35476 antipsychotic agent Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders. antimanic agent antimanic drugs antimanics CHEBI:35477 antimanic drug An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. CHEBI:35480 analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. CHEBI:35481 non-narcotic analgesic An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of aldehyde dehydrogenase (NAD(+)), EC 1.2.1.3. CoA-independent aldehyde dehydrogenase inhibitor CoA-independent aldehyde dehydrogenase inhibitors EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitor EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitors EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitors EC 1.2.1.3 inhibitor EC 1.2.1.3 inhibitors NAD-aldehyde dehydrogenase inhibitor NAD-aldehyde dehydrogenase inhibitors NAD-dependent 4-hydroxynonenal dehydrogenase inhibitor NAD-dependent 4-hydroxynonenal dehydrogenase inhibitors NAD-dependent aldehyde dehydrogenase inhibitor NAD-dependent aldehyde dehydrogenase inhibitors NAD-linked aldehyde dehydrogenase inhibitor NAD-linked aldehyde dehydrogenase inhibitors aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitor aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitors aldehyde dehydrogenase (NAD(+)) inhibitor aldehyde dehydrogenase (NAD(+)) inhibitors aldehyde dehydrogenase (NAD) inhibitor aldehyde dehydrogenase (NAD) inhibitors aldehyde dehydrogenase inhibitor aldehyde dehydrogenase inhibitors m-methylbenzaldehyde dehydrogenase inhibitor m-methylbenzaldehyde dehydrogenase inhibitors propionaldehyde dehydrogenase inhibitor propionaldehyde dehydrogenase inhibitors CHEBI:35487 EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor A loosely defined group of drugs that tend to reduce the activity of the central nervous system. CNS depressants central nervous system depressants CHEBI:35488 central nervous system depressant A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. anti-pyretic CHEBI:35493 antipyretic A compound which inhibits or antagonises the biosynthesis or actions of androgens. antiandrogen CHEBI:35497 androgen antagonist An agent that promotes the excretion of urine through its effects on kidney function. diuretics CHEBI:35498 diuretic A drug which lowers the blood glucose level. antidiabetic antihyperglycemic antihyperglycemic agent antihyperglycemic agents antihyperglycemic drug antihyperglycemic drugs antihyperglycemics hypoglycemic agents hypoglycemic drug hypoglycemic drugs CHEBI:35526 hypoglycemic agent An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. beta-adrenergic antagonists beta-adrenergic blocker beta-adrenergic blockers beta-adrenergic receptor blockaders beta-adrenoceptor antagonists beta-blocker beta-blockers CHEBI:35530 beta-adrenergic antagonist A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors (PG)H synthase inhibitor (PG)H synthase inhibitors COX inhibitor EC 1.14.99.1 (cyclooxygenase) inhibitor EC 1.14.99.1 (cyclooxygenase) inhibitors EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors EC 1.14.99.1 inhibitor EC 1.14.99.1 inhibitors PG synthetase inhibitor PG synthetase inhibitors cyclooxygenase (EC 1.14.99.1) inhibitor cyclooxygenase (EC 1.14.99.1) inhibitors cyclooxygenase inhibitor cyclooxygenase inhibitors fatty acid cyclooxygenase inhibitor fatty acid cyclooxygenase inhibitors prostaglandin G/H synthase inhibitor prostaglandin G/H synthase inhibitors prostaglandin endoperoxide synthetase inhibitor prostaglandin endoperoxide synthetase inhibitors prostaglandin synthase inhibitor prostaglandin synthase inhibitors prostaglandin synthetase inhibitor prostaglandin synthetase inhibitors CHEBI:35544 EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A fluoroalkanoic acid that is perfluorinated octanoic acid. C8HF15O2 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CAS:335-67-1 Wikipedia:Perfluorooctanoic_acid PFOA pentadecafluorooctanoic acid perfluorooctanoate Perfluorooctanoic acid Perhexiline (Pexsig) is a prophylactic antianginal agent used primarily in Australia and New Zealand. Perhexiline is thought to act by inhibiting mitochondrial carnitine palmitoyltransferase-1. (by Wikipedia) C19H35N C1CCC(CC1)C(CC1CCCCN1)C1CCCCC1 Beilstein:4979856 CAS:6621-47-2 DrugBank:DB01074 Drug_Central:2106 LINCS:LSM-4353 Wikipedia:Perhexiline 2-(2,2-dicyclohexylethyl)piperidine Perhexiline Perhexilene CHEBI:35553 perhexiline Beilstein:4979856 Beilstein CAS:6621-47-2 ChemIDplus CAS:6621-47-2 NIST Chemistry WebBook Drug_Central:2106 DrugCentral A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. cardiovascular agent cardiovascular drugs CHEBI:35554 cardiovascular drug An agent that selectively binds to and activates alpha-adrenergic receptors. alpha-adrenergic agonists alpha-adrenergic receptor agonist alpha-adrenoceptor agonists CHEBI:35569 alpha-adrenergic agonist C9H14O CC(C)=CC(=O)C=C(C)C CAS:504-20-1 2,6-dimethylhepta-2,5-dien-4-one phorone A substance that inhibits or prevents the proliferation of neoplasms. anticancer agent anticancer agents antineoplastic antineoplastic agents cytostatic CHEBI:35610 antineoplastic agent A drug used to cause dilation of the blood vessels. vasodilator vasodilator agents CHEBI:35620 vasodilator agent A drug used to prevent seizures or reduce their severity. Antiepileptika Antiepileptikum Antikonvulsiva Antikonvulsivum anti-convulsant anti-convulsants anti-convulsive agent anti-convulsive agents anticonvulsants anticonvulsive agent anticonvulsive agents antiepileptic antiepileptics antiepileptique antiepileptiques CHEBI:35623 anticonvulsant An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2). EC 1.17.3.2 (xanthine oxidase) inhibitors EC 1.17.3.2 inhibitor EC 1.17.3.2 inhibitors Schardinger enzyme inhibitor Schardinger enzyme inhibitors hypoxanthine oxidase inhibitor hypoxanthine oxidase inhibitors hypoxanthine-xanthine oxidase inhibitor hypoxanthine-xanthine oxidase inhibitors hypoxanthine:oxygen oxidoreductase inhibitor hypoxanthine:oxygen oxidoreductase inhibitors xanthine oxidase (EC 1.17.3.2) inhibitor xanthine oxidase (EC 1.17.3.2) inhibitors xanthine oxidase inhibitor xanthine oxidase inhibitors xanthine oxidoreductase inhibitor xanthine oxidoreductase inhibitors xanthine:O2 oxidoreductase inhibitor xanthine:O2 oxidoreductase inhibitors xanthine:oxygen oxidoreductase inhibitor xanthine:oxygen oxidoreductase inhibitors xanthine:xanthine oxidase inhibitor xanthine:xanthine oxidase inhibitors CHEBI:35634 EC 1.17.3.2 (xanthine oxidase) inhibitor Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin. ARI NERI NRI adrenergic reuptake inhibitor adrenergic reuptake inhibitors adrenergic uptake inhibitors norepinephrine reuptake inhibitor norepinephrine reuptake inhibitors CHEBI:35640 adrenergic uptake inhibitor An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. Wikipedia:Protease_inhibitor_(pharmacology) HIV protease inhibitors CHEBI:35660 HIV protease inhibitor Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antihypertensive antihypertensive agents antihypertensive drug antihypertensive drugs CHEBI:35674 antihypertensive agent A substance used to treat hyperlipidemia (an excess of lipids in the blood). antihyperlipemic antihyperlipemics antihyperlipidemic antihyperlipidemic agent antihyperlipidemic agents antihyperlipidemic drug antihyperlipidemic drugs antihyperlipidemics antilipemic antilipemic drugs antilipemics hypolipidemic agent hypolipidemic agents CHEBI:35679 antilipemic drug A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. Wikipedia:Xenobiotic Xenobiotic xenobiotic xenobiotics xenobiotic compounds CHEBI:35703 xenobiotic xenobiotics IUPAC An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. immunosuppressant immunosuppressive agents inmunosupresor CHEBI:35705 immunosuppressive agent A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. hypnotics hypnotics and sedatives sedative drug sedatives sedatives and hypnotics CHEBI:35717 sedative An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal antifungal agents antifungal drug antifungal drugs antifungals CHEBI:35718 antifungal agent Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached. IMR:0001382 glycerolipid glycerophosphoserine http://purl.obolibrary.org/obo/IMR_0001383 sphingophospholipid phosphosphingolipid A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions. leprostatic leprostatic agent leprostatic drugs CHEBI:35816 leprostatic drug Any antimicrobial drug which is used to treat or prevent protozoal infections. antiprotozoal agent antiprotozoal agents antiprotozoal drugs CHEBI:35820 antiprotozoal drug A substance used to lower plasma cholesterol levels. anticholesteremic drug A gout suppressant that acts directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma. uricosuric agent uricosuric drugs CHEBI:35841 uricosuric drug A drug used to treat rheumatoid arthritis. anti-rheumatic drugs antirheumatic agent antirheumatic drugs CHEBI:35842 antirheumatic drug A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. gout suppressants CHEBI:35845 gout suppressant A drug used for its effect on the kidneys' regulation of body fluid composition and volume. renal agents CHEBI:35846 renal agent A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. lipooxygenase inhibitor lipoxygenase inhibitors CHEBI:35856 lipoxygenase inhibitor A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. neurotransmitter agents CHEBI:35942 neurotransmitter agent A drug used to treat or prevent microbial infections. antimicrobial drugs CHEBI:36043 antimicrobial drug A substance used in the prophylaxis or therapy of virus diseases. anti-viral drug anti-virus drug antiviral drugs CHEBI:36044 antiviral drug A drug used to treat or prevent bacterial infections. Wikipedia:Antibacterial antibacterial drugs CHEBI:36047 antibacterial drug An amino acid chain that is produced de novo by ribosome-mediated translation of a genetically-encoded mRNA. http://purl.obolibrary.org/obo/PR_000000001 protein A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions. Beilstein:23033 CAS:80-77-3 DrugBank:DB01178 Drug_Central:603 LINCS:LSM-4356 PMID:10191862 PMID:10412893 PMID:10798243 PMID:15897685 PMID:29438107 PMID:3449070 PMID:3720548 PMID:3768082 PMID:6403110 PMID:7104168 PMID:7758315 PMID:9770210 Reaxys:23033 2-(4-chlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide (+-)-chlormezanone 2-(p-chlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one 1,1-dioxide 2-(p-chlorphenyl)-3-methyl-1,3-perhydrothiazin-4-on-1,1-dioxide chlormethazanone chlormezanona chlormezanone chlormezanonum CHEBI:3619 chlormezanone Beilstein:23033 Beilstein CAS:80-77-3 ChemIDplus Drug_Central:603 DrugCentral PMID:10191862 Europe PMC PMID:10412893 Europe PMC PMID:10798243 Europe PMC PMID:15897685 Europe PMC PMID:29438107 Europe PMC PMID:3449070 Europe PMC PMID:3720548 Europe PMC PMID:3768082 Europe PMC PMID:6403110 Europe PMC PMID:7104168 Europe PMC PMID:7758315 Europe PMC PMID:9770210 Europe PMC Reaxys:23033 Reaxys glycerophosphoethanolamine Any glycerophospholipid having the polar alcohol inositol esterified to the phosphate group at the sn-3 position of the glycerol backbone. PMID:14706866 glycerophosphoinositols glycerophosphoinositol A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. antitrypanosomal agent antitrypanosomal agents antitrypanosomal drug antitrypanosomal drugs trypanocidal drugs trypanocide trypanosomicidal agents CHEBI:36335 trypanocidal drug Any molecular entity consisting of more than one atom. polyatomic entity An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. C2H2Cl2O2 OC(=O)C(Cl)Cl CAS:79-43-6 Wikipedia:Dichloroacetic_acid dichloroacetic acid A compound which stimulates anabolism and inhibits catabolism. Anabolic agents stimulate the development of muscle mass, strength, and power. CHEBI:36413 anabolic agent A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. C17H19ClN2S CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 CAS:50-53-3 DrugBank:DB00477 LINCS:LSM-4017 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine chlorpromazine A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm. Beilstein:638882 CAS:95-25-0 DrugBank:DB00356 Drug_Central:626 LINCS:LSM-6011 PMID:10640318 PMID:11727787 PMID:12437348 PMID:16763012 PMID:16859676 PMID:17621748 PMID:21195386 PMID:23975871 PMID:24210069 PMID:25815637 PMID:6631711 Reaxys:638882 5-chloro-1,3-benzoxazol-2-ol CHLORZOXAZONE Chlorzoxazone 2-hydroxy-5-chlorobenzoxazole 5-chloro-2(3H)-benzoxazolone 5-chloro-2-benzoxazolinone 5-chloro-2-benzoxazolol 5-chloro-2-benzoxazolone 5-chloro-2-hydroxybenzoxazole 5-chlorobenzoxazolidone 5-chlorobenzoxazolin-2-one chlorzoxane chlorzoxazona chlorzoxazone chlorzoxazonum CHEBI:3655 chlorzoxazone Beilstein:638882 Beilstein CAS:95-25-0 ChemIDplus CAS:95-25-0 NIST Chemistry WebBook Drug_Central:626 DrugCentral PMID:10640318 Europe PMC PMID:11727787 Europe PMC PMID:12437348 Europe PMC PMID:16763012 Europe PMC PMID:16859676 Europe PMC PMID:17621748 Europe PMC PMID:21195386 Europe PMC PMID:23975871 Europe PMC PMID:24210069 Europe PMC PMID:25815637 Europe PMC PMID:6631711 Europe PMC Reaxys:638882 Reaxys phosphoethanolamine An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors. Beilstein:7960555 CAS:206361-99-1 DrugBank:DB01264 Drug_Central:4143 PMID:15771427 PMID:16480273 PMID:25017682 Reaxys:7960555 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate Darunavir (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate (3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate N-((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(3.3.0)oct-2-yloxy)carboxamide TMC114 [(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester darunavir darunavirum {(1S,2R)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester CHEBI:367163 darunavir Beilstein:7960555 Beilstein CAS:206361-99-1 ChemIDplus Drug_Central:4143 DrugCentral PMID:15771427 ChEMBL PMID:16480273 ChEMBL PMID:25017682 Europe PMC Reaxys:7960555 Reaxys Beilstein:8842375 CAS:116539-58-3 PMID:20825390 N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine CHEBI:36796 duloxetine Beilstein:8842375 Beilstein CAS:116539-58-3 ChemIDplus PMID:20825390 Europe PMC A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid. A nucleotide consists of a nitrogen-containing base, a five-carbon sugar, and one or more phosphate groups. Nucleotides can carry chemical energy (e.g. ATP), form coenzymes (e.g. CoA), be used as specific signaling molecules (e.g. cAMP) in the cell. Nucleotides are the subunits of the nucleic acids. IMR:0001349 nucleotide A nucleotide consists of a nitrogen-containing base, a five-carbon sugar, and one or more phosphate groups. Nucleotides can carry chemical energy (e.g. ATP), form coenzymes (e.g. CoA), be used as specific signaling molecules (e.g. cAMP) in the cell. Nucleotides are the subunits of the nucleic acids. ISBN:0815340729 Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16). 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors Aspergillus awamori acid protein phosphatase inhibitor Aspergillus awamori acid protein phosphatase inhibitors