CHEBI:47780 - clomipramine

ChEBI IDCHEBI:47780
ChEBI Nameclomipramine
Stars
DefinitionA dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.
Secondary ChEBI IDsCHEBI:3754, CHEBI:47359
Last Modified23 April 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H23ClN2
Net Charge0
Average Mass314.860
Monoisotopic Mass314.15498
SMILESCN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKeyGDLIGKIOYRNHDA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
serotonin uptake inhibitor  A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor  An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of trypanothione-disulfide reductase (EC 1.8.1.12).
Applications:
serotonin uptake inhibitor  A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
clomipramine (CHEBI:47780) has functional parent imipramine (CHEBI:47499)
clomipramine (CHEBI:47780) has role anticoronaviral agent (CHEBI:149553)
clomipramine (CHEBI:47780) has role antidepressant (CHEBI:35469)
clomipramine (CHEBI:47780) has role EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor (CHEBI:77402)
clomipramine (CHEBI:47780) has role serotonergic antagonist (CHEBI:48279)
clomipramine (CHEBI:47780) has role serotonergic drug (CHEBI:48278)
clomipramine (CHEBI:47780) has role serotonin uptake inhibitor (CHEBI:50949)
clomipramine (CHEBI:47780) is a dibenzoazepine (CHEBI:47804)
clomipramine (CHEBI:47780) is conjugate base of clomipramine(1+) (CHEBI:64209)
Incoming Relation(s)
clomipramine(1+) (CHEBI:64209) is conjugate acid of clomipramine (CHEBI:47780)
IUPAC Name 
3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine
Synonyms  Source
3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamineNIST Chemistry WebBook
3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINEPDBeChem
3-chloroimipramineChemIDplus
chlorimipramineNIST Chemistry WebBook
ClomipramineKEGG COMPOUND
G 34586NIST Chemistry WebBook
Manual XrefsDatabases
701DrugCentral
C06918KEGG COMPOUND
CH371799Patent
ClomipramineWikipedia
CXXPDBeChem
D07727KEGG DRUG
DB01242DrugBank
LSM-3171LINCS
US3467650Patent
Registry NumbersSources
Reaxys:1323477Reaxys
CAS:303-49-1KEGG COMPOUND
CAS:303-49-1ChemIDplus
CAS:303-49-1NIST Chemistry WebBook
Citations