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CHEBI:167899 - mefuparib hydrochloride

ChEBI IDCHEBI:167899
ChEBI Namemefuparib hydrochloride
Stars
DefinitionThe 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.
Last Modified8 April 2021
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC17H15FN2O2.HCl
Net Charge0
Average Mass334.778
Monoisotopic Mass334.08843
SMILESCNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1.Cl
InChIInChI=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
InChIKeyGPFWTAVHQKERKY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
CVL-218ChEBI
CVL 218ChEBI
CVL218ChEBI
mefuparib HClChEBI
mefuparib monohydrochlorideChEBI
[4-(7-carbamoyl-5-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanaminium chlorideIUPAC
Registry NumbersSources
CAS:1449746-00-2ChemIDplus
Citations