CHEBI:62880 - veliparib

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ChEBI Name veliparib
ChEBI ID CHEBI:62880
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C13H16N4O
Net Charge 0
Average Mass 244.29230
Monoisotopic Mass 244.132
InChI InChI=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
InChIKey JNAHVYVRKWKWKQ-CYBMUJFWSA-N
SMILES C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O
Roles Classification
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).
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ChEBI Ontology
Outgoing 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
veliparib ChemIDplus
Synonyms Sources
2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide ChEBI
ABT 888 ChemIDplus
ABT-888 ChemIDplus
Manual Xrefs Databases
D09692 KEGG DRUG
LSM-1146 LINCS
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Registry Numbers Types Sources
11335359 Reaxys Registry Number Reaxys
912444-00-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17473206 PubMed citation SUBMITTER
19035287 PubMed citation Europe PMC
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21795476 PubMed citation Europe PMC
Last Modified
24 February 2016