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CHEBI:167905 - mefuparib

ChEBI IDCHEBI:167905
ChEBI Namemefuparib
Stars
DefinitionA 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.
Last Modified8 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC17H15FN2O2
Net Charge0
Average Mass298.317
Monoisotopic Mass298.11176
SMILESCNCc1ccc(-c2cc3cc(F)cc(C(N)=O)c3o2)cc1
InChIInChI=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)
InChIKeyROBJKLPZIPNAMV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 baseChemIDplus
Manual XrefsDatabases
5378DrugCentral
Registry NumbersSources
CAS:1392502-82-7ChemIDplus
Citations