U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N4O
Molecular Weight 244.2923
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VELIPARIB

SMILES

C[C@@]1(CCCN1)C2=NC3=C(N2)C=CC=C3C(N)=O

InChI

InChIKey=JNAHVYVRKWKWKQ-CYBMUJFWSA-N
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

HIDE SMILES / InChI
Molecular Formula C13H16N4O
Molecular Weight 244.2923
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:31 UTC 2023
Edited
by admin
on Fri Dec 15 17:15:31 UTC 2023
Record UNII
01O4K0631N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VELIPARIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
PARP-1 INHIBITOR ABT-888
Code English
veliparib [INN]
Common Name English
Veliparib [WHO-DD]
Common Name English
1H-BENZIMIDAZOLE-7-CARBOXAMIDE, 2-((2R)-2-METHYL-2-PYRROLIDINYL)-
Systematic Name English
VELIPARIB [JAN]
Common Name English
ABT-888
Code English
VELIPARIB [USAN]
Common Name English
2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
Systematic Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/10/830
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
FDA ORPHAN DRUG 542916
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
FDA ORPHAN DRUG 456514
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
NCI_THESAURUS C62554
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
FDA ORPHAN DRUG 257108
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
FDA ORPHAN DRUG 246607
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
FDA ORPHAN DRUG 295509
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
FDA ORPHAN DRUG 290209
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
Code System Code Type Description
PUBCHEM
11960529
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
FDA UNII
01O4K0631N
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
INN
9211
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL506871
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
WIKIPEDIA
VELIPARIB
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
NCI_THESAURUS
C60768
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
CAS
912444-00-9
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
CHEBI
62880
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
DRUG BANK
DB07232
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
SMS_ID
100000124275
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID90238456
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
USAN
WW-28
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
EVMPD
SUB32392
Created by admin on Fri Dec 15 17:15:31 UTC 2023 , Edited by admin on Fri Dec 15 17:15:31 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 2C19
METABOLIC ENZYME -> SUBSTRATE
POLY (ADP-RIBOSE) POLYMERASE 1
TARGET -> INHIBITOR
Ki
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
Veliparib was a weak P-glycoprotein (P-gp) substrate.
Structure of VELIPARIB
EXCRETED UNCHANGED
URINE
Structure of VELIPARIB
EXCRETED UNCHANGED
POLY (ADP-RIBOSE) POLYMERASE 2
TARGET -> INHIBITOR
Ki
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
MAJOR
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of Veliparib lactam metabolite
METABOLITE LESS ACTIVE -> PARENT
Related Record Type Details
Structure of VELIPARIB
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966