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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:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
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).
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.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
Applications:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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.
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
ClomipramineKEGG COMPOUND
3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINEPDBeChem
3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamineNIST Chemistry WebBook
3-chloroimipramineChemIDplus
chlorimipramineNIST Chemistry WebBook
monochlorimipramineNIST Chemistry WebBook
Manual XrefsDatabases
C06918KEGG COMPOUND
CXXPDBeChem
ClomipramineWikipedia
DB01242DrugBank
CH371799Patent
US3467650Patent
D07727KEGG DRUG
LSM-3171LINCS
701DrugCentral
Registry NumbersSources
Reaxys:1323477Reaxys
CAS:303-49-1KEGG COMPOUND
CAS:303-49-1NIST Chemistry WebBook
CAS:303-49-1ChemIDplus
Citations