mefuparib hydrochloride (CHEBI:167899)

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ChEBI Name	mefuparib hydrochloride

ChEBI ID	CHEBI:167899

Definition	The hydrochloride salt of mefuparib. It is a potent poly(ADP-ribose) polymerase inhibitor which exhibits strong anticancer activity and also inhibits SARS-CoV-2 in cell culture.

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

Submitter	Margaret Duesbury

Supplier Information

Download	Molfile XML SDF

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Formula

C17H15FN2O2.ClH

Net Charge

Average Mass

334.780

Monoisotopic Mass

334.08843

InChI

InChI=1S/C17H15FN2O2.ClH/c1-20-9-10-2-4-11(5-3-10)15-7-12-6-13(18)8-14(17(19)21)16(12)22-15;/h2-8,20H,9H2,1H3,(H2,19,21);1H

InChIKey

GPFWTAVHQKERKY-UHFFFAOYSA-N

SMILES

Cl.CNCC1=CC=C(C=C1)C1=CC2=CC(F)=CC(C(N)=O)=C2O1

Roles Classification
Biological Role(s):	anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD+ ADP-ribosyltransferase (EC 2.4.2.30). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	mefuparib hydrochloride (CHEBI:167899) has part mefuparib(1+) (CHEBI:167906) mefuparib hydrochloride (CHEBI:167899) has role anticoronaviral agent (CHEBI:149553) mefuparib hydrochloride (CHEBI:167899) has role antineoplastic agent (CHEBI:35610) mefuparib hydrochloride (CHEBI:167899) has role apoptosis inducer (CHEBI:68495) mefuparib hydrochloride (CHEBI:167899) has role EC 2.4.2.30 (NAD⁺ ADP-ribosyltransferase) inhibitor (CHEBI:62913) mefuparib hydrochloride (CHEBI:167899) is a hydrochloride (CHEBI:36807)

IUPAC Name

5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide hydrochloride

Synonyms	Sources
5-fluoro-2-(4-((methylamino)methyl)phenyl)benzofuran-7-carboxamide hydrochloride	ChEBI
5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide—hydrogen chloride	IUPAC
[4-(7-carbamoyl-5-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanaminium chloride	IUPAC
CVL 218	ChEBI
CVL-218	ChEBI
CVL218	ChEBI
mefuparib HCl	ChEBI
mefuparib monohydrochloride	ChEBI

Registry Number	Type	Source
1449746-00-2	CAS Registry Number	ChemIDplus

Last Modified

08 April 2021