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CHEBI:147284 - cinanserin hydrochloride

ChEBI IDCHEBI:147284
ChEBI Namecinanserin hydrochloride
Stars
DefinitionThe hydrochloride salt of cinanserin. It is an inhibitor of 3C-like proteinase of severe acute respiratory syndrome coronavirus (SARS-Cov) and reduces virus replication in vitro.
Last Modified23 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC20H24N2OS.HCl
Net Charge0
Average Mass376.953
Monoisotopic Mass376.13761
SMILESCN(C)CCCSc1ccccc1NC(=O)/C=C/c1ccccc1.Cl
InChIInChI=1S/C20H24N2OS.ClH/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);1H/b14-13+;
InChIKeyLXGJPDKYMJJWRB-IERUDJENSA-N
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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).
ChEBI Ontology
Outgoing Relation(s)
cinanserin hydrochloride (CHEBI:147284) has part cinanserin(1+) (CHEBI:147283)
cinanserin hydrochloride (CHEBI:147284) has role anticoronaviral agent (CHEBI:149553)
cinanserin hydrochloride (CHEBI:147284) has role antiviral agent (CHEBI:22587)
cinanserin hydrochloride (CHEBI:147284) has role EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor (CHEBI:147285)
cinanserin hydrochloride (CHEBI:147284) is a hydrochloride (CHEBI:36807)
IUPAC Name 
(2E)-N-(2-{[3-(dimethylamino)propyl]sulfanyl}phenyl)-3-phenylprop-2-enamide hydrochloride
Synonyms  Source
SQ 10,643ChemIDplus
SQ 10643ChemIDplus
cinanserin HClChemIDplus
MAPTCChemIDplus
Manual XrefsDatabases
D03506KEGG DRUG
Registry NumbersSources
CAS:54-84-2ChemIDplus
Citations