Details of the Drug

General Information of Drug (ID: DM4HYMS)

Drug Name

ABT-888

Synonyms

Veliparib; 912444-00-9; ABT-888; ABT 888; ABT-888 (Veliparib); Veliparib (ABT-888); ABT888; UNII-01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; CHEBI:62880; 2-[(R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide; (R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo[d]imidazole-4-carboxamide; 01O4K0631N; 2-[(2R)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4-; (2r)-2-(7-Carbamoyl-1h-Benzimidazol-2-Yl)-2-Methylpyrrolidinium; Veliparib dihydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 3	[1]
Epithelial ovarian cancer	2B5D	Phase 3	[2]
Non-small-cell lung cancer	2C25.Y	Phase 3	[3]
Ovarian cancer	2C73	Phase 3	[3]
Melanoma	2C30	Phase 2	[2]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

317.21

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C13H18Cl2N4O
IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide;dihydrochloride
Canonical SMILES: C[C@@]1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N.Cl.Cl
InChI: InChI=1S/C13H16N4O.2ClH/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);2*1H/t13-;;/m1../s1
InChIKey: DSBSVDCHFMEYBX-FFXKMJQXSA-N

Cross-matching ID

PubChem CID: 45480520
CAS Number: 912445-05-7
TTD ID: D0Q7UD

Combinatorial Drugs (CBD)

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Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Poly [ADP-ribose] polymerase (PARP)	TTEBCY8	NOUNIPROTAC	Modulator	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7417).
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.