cinanserin (CHEBI:145999)

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ChEBI Name	cinanserin

ChEBI ID	CHEBI:145999

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Yingtong Liu

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Formula

C20H24N2OS

Net Charge

Average Mass

340.490

Monoisotopic Mass

340.16093

InChI

InChI=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+

InChIKey

RSUVYMGADVXGOU-BUHFOSPRSA-N

SMILES

C=1(C=CC=CC1NC(=O)/C=C/C=2C=CC=CC2)SCCCN(C)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses.

ChEBI Ontology
Outgoing	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	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

Registry Number	Type	Source
1166-34-3	CAS Registry Number	ChemIDplus

Last Modified

23 April 2020