Veliparib

Identification

Name
Veliparib
Accession Number
DB07232
Description
Not Available
Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 244.2923
Monoisotopic: 244.132411154
Chemical Formula
C13H16N4O
Synonyms
  • (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium
  • 2-((2R)-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
  • Veliparib
External IDs
  • ABT-888

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
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Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UPoly [ADP-ribose] polymerase 1Not AvailableHumans
UPoly [ADP-ribose] polymerase 2Not AvailableHumans
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half-life
Not Available
Clearance
Not Available
Adverse Effects
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Veliparib.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined with Veliparib.
Methoxy polyethylene glycol-epoetin betaThe risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Veliparib.
PeginesatideThe risk or severity of Thrombosis can be increased when Peginesatide is combined with Veliparib.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

Products

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzimidazoles
Sub Class
Not Available
Direct Parent
Benzimidazoles
Alternative Parents
Aralkylamines / Benzenoids / Pyrrolidines / Imidazoles / Heteroaromatic compounds / Primary carboxylic acid amides / Amino acids and derivatives / Dialkylamines / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Carboxamide group / Carboxylic acid derivative
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
benzimidazoles (CHEBI:62880)

Chemical Identifiers

UNII
01O4K0631N
CAS number
912444-00-9
InChI Key
JNAHVYVRKWKWKQ-CYBMUJFWSA-N
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
IUPAC Name
2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-7-carboxamide
SMILES
C[[email protected]@]1(CCCN1)C1=NC2=CC=CC(C(N)=O)=C2N1

References

General References
Not Available
PubChem Compound
11960529
PubChem Substance
99443703
ChemSpider
10134775
BindingDB
27135
ChEBI
62880
ChEMBL
CHEMBL506871
ZINC
ZINC000084610155
PharmGKB
PA166131609
PDBe Ligand
78P
Wikipedia
Veliparib
PDB Entries
2rd6 / 3kjd / 5lx6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentMetastatic Breast Cancer1
3Active Not RecruitingTreatmentNeoplasms, Ovarian / Ovarian Cancer1
3Active Not RecruitingTreatmentTriple Negative Breast Cancer (TNBC)1
3CompletedTreatmentNon-Squamous Non-Small Cell Lung Cancer1
3CompletedTreatmentSquamous Non-Small Cell Lung Cancer1
2Active Not RecruitingTreatmentAdvanced Malignant Solid Neoplasm1
2Active Not RecruitingTreatmentBRCA-Mutated Metastatic Breast Carcinoma / Metastatic Breast Carcinoma / Metastatic Malignant Neoplasm in the Brain / Metastatic Triple-Negative Breast Carcinoma / Recurrent Breast Carcinoma / Stage IV Breast Cancer AJCC v6 and v71
2Active Not RecruitingTreatmentBRCA1 Gene Mutation / Brca2 Gene Mutation / Breast Cancer / Metastatic Breast Cancer1
2Active Not RecruitingTreatmentBrca1 Mutation Carrier / Brca2 Mutation Carrier / Recurrent Breast Carcinoma / Stage IIIB Breast Cancer AJCC v7 / Stage IIIC Breast Cancer AJCC v7 / Stage IV Breast Cancer AJCC v6 and v71
2Active Not RecruitingTreatmentCastration-Resistant Prostate Carcinoma / Recurrent Prostate Carcinoma / Stage IV Prostate Cancer AJCC v71

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.275 mg/mLALOGPS
logP1.1ALOGPS
logP0.18ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)9.21ChemAxon
pKa (Strongest Basic)8.97ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area83.8 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity68.62 m3·mol-1ChemAxon
Polarizability26.31 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+1.0
Blood Brain Barrier+0.9597
Caco-2 permeable-0.6466
P-glycoprotein substrateSubstrate0.7841
P-glycoprotein inhibitor INon-inhibitor0.9381
P-glycoprotein inhibitor IINon-inhibitor0.8982
Renal organic cation transporterNon-inhibitor0.7994
CYP450 2C9 substrateNon-substrate0.8283
CYP450 2D6 substrateNon-substrate0.7684
CYP450 3A4 substrateNon-substrate0.5438
CYP450 1A2 substrateInhibitor0.5173
CYP450 2C9 inhibitorNon-inhibitor0.7135
CYP450 2D6 inhibitorNon-inhibitor0.8155
CYP450 2C19 inhibitorNon-inhibitor0.652
CYP450 3A4 inhibitorNon-inhibitor0.8474
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8153
Ames testNon AMES toxic0.7068
CarcinogenicityNon-carcinogens0.9098
BiodegradationNot ready biodegradable0.9874
Rat acute toxicity2.4847 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9961
hERG inhibition (predictor II)Non-inhibitor0.5162
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This ...
Gene Name
PARP1
Uniprot ID
P09874
Uniprot Name
Poly [ADP-ribose] polymerase 1
Molecular Weight
113082.945 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Nad+ adp-ribosyltransferase activity
Specific Function
Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This ...
Gene Name
PARP2
Uniprot ID
Q9UGN5
Uniprot Name
Poly [ADP-ribose] polymerase 2
Molecular Weight
66205.31 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]

Drug created on September 15, 2010 15:19 / Updated on June 12, 2020 10:52

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