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