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CHEBI:145999 - cinanserin

Default Structure
ChEBI IDCHEBI:145999
ChEBI Namecinanserin
Stars
DefinitionAn aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication.
Last Modified23 April 2020
Submitteryingtliu
DownloadsMolfile
FormulaC20H24N2OS
Net Charge0
Average Mass340.492
Monoisotopic Mass340.16093
SMILESCN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+
InChIKeyRSUVYMGADVXGOU-BUHFOSPRSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor  An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69).
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
cinanserin (CHEBI:145999) has role anticoronaviral agent (CHEBI:149553)
cinanserin (CHEBI:145999) has role antiviral agent (CHEBI:22587)
cinanserin (CHEBI:145999) has role EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor (CHEBI:147285)
cinanserin (CHEBI:145999) is a aryl sulfide (CHEBI:35683)
cinanserin (CHEBI:145999) is a cinnamamides (CHEBI:23247)
cinanserin (CHEBI:145999) is a secondary carboxamide (CHEBI:140325)
cinanserin (CHEBI:145999) is a tertiary amino compound (CHEBI:50996)
cinanserin (CHEBI:145999) is conjugate base of cinanserin(1+) (CHEBI:147283)
Incoming Relation(s)
cinanserin(1+) (CHEBI:147283) is conjugate acid of cinanserin (CHEBI:145999)
IUPAC Name 
(2E)-N-(2-{[3-(dimethylamino)propyl]sulfanyl}phenyl)-3-phenylprop-2-enamide
INNs  Source
cinanserinWHO MedNet
cinanserinaWHO MedNet
cinansérineWHO MedNet
cinanserinumWHO MedNet
Manual XrefsDatabases
CinanserinWikipedia
Registry NumbersSources
CAS:1166-34-3ChemIDplus
Citations