Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:62880 - veliparib
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
veliparib
ChEBI ID
CHEBI:62880
Definition
A benzimidazole substituted with a carbamoyl group at C-4 and a (2
R
)-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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C13H16N4O
Net Charge
0
Average Mass
244.29230
Monoisotopic Mass
244.13241
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).
View more via ChEBI Ontology
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-[(2
R
)-2-methylpyrrolidin-2-yl]-1
H
-benzimidazole-4-carboxamide
INN
Source
veliparib
ChemIDplus
Synonyms
Sources
2-[(
R
)-2-methylpyrrolidin-2-yl]-1
H
-benzimidazole-4-carboxamide
ChEBI
ABT 888
ChemIDplus
ABT-888
ChemIDplus
Manual Xrefs
Databases
D09692
KEGG DRUG
LSM-1146
LINCS
View more database links
Registry Numbers
Types
Sources
11335359
Reaxys Registry Number
Reaxys
912444-00-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17473206
PubMed citation
SUBMITTER
19035287
PubMed citation
Europe PMC
19759537
PubMed citation
SUBMITTER
19790005
PubMed citation
Europe PMC
20071126
PubMed citation
Europe PMC
20610628
PubMed citation
Europe PMC
20812149
PubMed citation
Europe PMC
21161370
PubMed citation
Europe PMC
21227924
PubMed citation
Europe PMC
21436403
PubMed citation
Europe PMC
21571912
PubMed citation
Europe PMC
21600381
PubMed citation
Europe PMC
21613406
PubMed citation
Europe PMC
21795476
PubMed citation
Europe PMC
Last Modified
24 February 2016