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CHEBI:62880 - veliparib

Default Structure
ChEBI IDCHEBI:62880
ChEBI Nameveliparib
Stars
DefinitionA benzimidazole substituted with a carbamoyl group at C-4 and a (2R)-2-methylpyrrolidin-2-yl moiety at C-2. It is a potent, orally bioavailable PARP inhibitor.
Last Modified24 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC13H16N4O
Net Charge0
Average Mass244.298
Monoisotopic Mass244.13241
SMILESC[C@]1(c2nc3cccc(C(N)=O)c3n2)CCCN1
InChIInChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
InChIKeyJNAHVYVRKWKWKQ-CYBMUJFWSA-N
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
veliparib (CHEBI:62880) has role EC 2.4.2.30 (NAD+ ADP-ribosyltransferase) inhibitor (CHEBI:62913)
veliparib (CHEBI:62880) is a benzimidazoles (CHEBI:22715)
IUPAC Name 
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
INN  Source
veliparibChemIDplus
Synonyms  Source
2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamideChEBI
ABT 888ChemIDplus
ABT-888ChemIDplus
Manual XrefsDatabases
D09692KEGG DRUG
LSM-1146LINCS
Registry NumbersSources
Reaxys:11335359Reaxys
CAS:912444-00-9ChemIDplus
Citations