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CHEBI:145999 - cinanserin

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:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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).
antiviral agent  A substance that destroys or inhibits replication of viruses.
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
cinansérineWHO MedNet
cinanserinumWHO MedNet
cinanserinaWHO MedNet
Manual XrefsDatabases
CinanserinWikipedia
Registry NumbersSources
CAS:1166-34-3ChemIDplus
Citations