mefuparib (CHEBI:167905)

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ChEBI Name	mefuparib

ChEBI ID	CHEBI:167905

Definition	A member of the class of 1-benzofurans that is 1-benzofuran substituted by 4-[(methylamino)methyl]phenyl, fluoro and aminocarbonyl groups at positions 2, 5, and 7, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC₅₀ of 3.2 nM and 1.9 nM, respectively). The compound exhibits anti-cancer properties and has also shown promising antiviral activity against the virus that causes COVID-19.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H15FN2O2

Net Charge

Average Mass

298.317

Monoisotopic Mass

298.11176

InChI

InChI=1S/C17H15FN2O2/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)

InChIKey

ROBJKLPZIPNAMV-UHFFFAOYSA-N

SMILES

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

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 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). anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. 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 (CHEBI:167905) has role anticoronaviral agent (CHEBI:149553) mefuparib (CHEBI:167905) has role antineoplastic agent (CHEBI:35610) mefuparib (CHEBI:167905) has role apoptosis inducer (CHEBI:68495) mefuparib (CHEBI:167905) has role EC 2.4.2.30 (NAD⁺ ADP-ribosyltransferase) inhibitor (CHEBI:62913) mefuparib (CHEBI:167905) is a 1-benzofurans (CHEBI:38830) mefuparib (CHEBI:167905) is a organofluorine compound (CHEBI:37143) mefuparib (CHEBI:167905) is a primary carboxamide (CHEBI:140324) mefuparib (CHEBI:167905) is a secondary amino compound (CHEBI:50995) mefuparib (CHEBI:167905) is conjugate base of mefuparib(1+) (CHEBI:167906)

Incoming	mefuparib(1+) (CHEBI:167906) is conjugate acid of mefuparib (CHEBI:167905)

IUPAC Name

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

Synonym	Source
CVL-218 free base	ChemIDplus

Registry Number	Type	Source
1392502-82-7	CAS Registry Number	ChemIDplus

Last Modified

08 April 2021