Veliparib

Identification

Name
Veliparib
Accession Number
DB07232
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium
  • 2-((2R)-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
External IDs
ABT-888
Categories
UNII
01O4K0631N
CAS number
912444-00-9
Weight
Average: 244.2923
Monoisotopic: 244.132411154
Chemical Formula
C13H16N4O
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

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UPoly [ADP-ribose] polymerase 1Not AvailableHuman
UPoly [ADP-ribose] polymerase 2Not AvailableHuman
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Veliparib.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Veliparib.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Veliparib.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Veliparib.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Veliparib.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Veliparib.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Veliparib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Veliparib.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Veliparib.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Veliparib.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Veliparib.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Veliparib.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Veliparib.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Veliparib.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Veliparib.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Veliparib.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Veliparib.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Veliparib.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Veliparib.Approved, Investigational
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAccelerated Phase of Disease / Acute Lymphoblastic Leukaemias (ALL) / Acute Myeloid Leukemia Arising From Previous Myelodysplastic Syndrome / Adult Acute Myeloid Leukemia With Inv(16)(p13.1q22); CBFB-MYH11 / Adult Acute Myeloid Leukemia With t(16;16)(p13.1;q22); CBFB-MYH11 / Adult Acute Myeloid Leukemia With t(8;21)(q22;q22); RUNX1-RUNX1T1 / Adult Acute Myeloid Leukemia With t(8;21); (q22; q22.1); RUNX1-RUNX1T1 / Adult Acute Myeloid Leukemia With t(9;11)(p22.3;q23.3); MLLT3-KMT2A / Adult Acute Myeloid Leukemia With t(9;11)(p22;q23); MLLT3-MLL / Adult Acute Promyelocytic Leukemia With PML-RARA / Adult Acute Promyelocytic Leukemia With t(15;17)(q22;q12); PML-RARA / Adult B Acute Lymphoblastic Leukemia / Adult B Acute Lymphoblastic Leukemia With t(9;22)(q34.1;q11.2); BCR-ABL1 / Adult B Acute Lymphoblastic Leukemia With t(9;22)(q34;q11.2); BCR-ABL1 / Adult T Acute Lymphoblastic Leukemia / Alkylating Agent-Related Acute Myeloid Leukemia / Blastic Phase / Chronic Myelomonocytic Leukemia / Leukemia Acute Myeloid Leukemia (AML) / Recurrent Adult Acute Lymphoblastic Leukemia / Recurrent Adult Acute Myeloid Leukemia / Recurrent Disease / Secondary Acute Myeloid Leukemia / Untreated Adult Acute Lymphoblastic Leukemia / Untreated Adult Acute Myeloid Leukemia1
1Active Not RecruitingTreatmentAdult Acute Megakaryoblastic Leukemia / Adult Acute Monoblastic Leukemia / Adult Acute Monocytic Leukemia / Adult Acute Myeloid Leukemia With Inv(16)(p13.1q22); CBFB-MYH11 / Adult Acute Myeloid Leukemia With Maturation / Adult Acute Myeloid Leukemia With Minimal Differentiation / Adult Acute Myeloid Leukemia With t(16;16)(p13.1;q22); CBFB-MYH11 / Adult Acute Myeloid Leukemia With t(8;21)(q22;q22); RUNX1-RUNX1T1 / Adult Acute Myeloid Leukemia With t(8;21); (q22; q22.1); RUNX1-RUNX1T1 / Adult Acute Myeloid Leukemia With t(9;11)(p22.3;q23.3); MLLT3-KMT2A / Adult Acute Myeloid Leukemia With t(9;11)(p22;q23); MLLT3-MLL / Adult Acute Myeloid Leukemia Without Maturation / Adult Acute Myelomonocytic Leukemia / Adult Erythroleukemia / Adult Pure Erythroid Leukemia / Chronic Myelomonocytic Leukemia / De Novo Myelodysplastic Syndrome / Essential Thrombocythemia (ET) / Hematopoietic and Lymphoid Cell Neoplasm / Myelodysplastic Syndrome / Philadelphia Chromosome Negative, BCR-ABL1 Positive Chronic Myelogenous Leukemia / Polycythemia Vera (PV) / Previously Treated Myelodysplastic Syndromes / Recurrent Adult Acute Lymphoblastic Leukemia / Recurrent Adult Acute Myeloid Leukemia / Recurrent Disease / Secondary Myelodysplastic Syndromes1
1Active Not RecruitingTreatmentAdult Solid Neoplasm / Basal-Like Breast Carcinoma / Brca1 Mutation Carrier / Brca2 Mutation Carrier / Carcinoma, Breast / Carcinoma, Pancreatic / Estrogen Receptor Negative / HER2/Neu Negative / Hereditary Breast and Ovarian Cancer Syndrome / Male Breast Carcinoma / Ovarian Carcinoma / Progesterone Receptor Negative / Prostate Cancer / Recurrent Breast Carcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Pancreatic Carcinoma / Recurrent Primary Peritoneal Carcinoma / Recurrent Prostate Carcinoma / Solid Neoplasms / Triple-Negative Breast Carcinoma1
1Active Not RecruitingTreatmentAdult Solid Neoplasm / Peritoneal Carcinomatosis / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma1
1Active Not RecruitingTreatmentBrca1 Mutation Carrier / Brca2 Mutation Carrier / Estrogen Receptor Negative / Estrogen Receptor Positive / HER2/Neu Negative / Male Breast Carcinoma / Progesterone Receptor Negative / Progesterone Receptor Positive / Recurrent Breast Carcinoma / Stage IIIB Breast Cancer / Stage IIIB Breast Cancer AJCC v7 / Stage IIIC Breast Cancer / Stage IIIC Breast Cancer AJCC v7 / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v7 / Triple-Negative Breast Carcinoma1
1Active Not RecruitingTreatmentEstrogen Receptor Negative / HER2/Neu Negative / Male Breast Carcinoma / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
1Active Not RecruitingTreatmentFallopian Tube Carcinosarcoma / Fallopian Tube Clear Cell Adenocarcinoma / Fallopian Tube Endometrioid Adenocarcinoma / Fallopian Tube Mucinous Adenocarcinoma / Fallopian Tube Serous Neoplasm / Fallopian Tube Transitional Cell Carcinoma / Ovarian Brenner Tumor / Ovarian Carcinosarcoma / Ovarian Clear Cell Adenocarcinoma / Ovarian Endometrioid Adenocarcinoma / Ovarian Mixed Epithelial Tumor / Ovarian Mucinous Adenocarcinoma / Ovarian Seromucinous Tumor / Ovarian Serous Adenocarcinoma / Ovarian Transitional Cell Carcinoma / Primary Peritoneal Serous Adenocarcinoma / Stage IIA Fallopian Tube Cancer / Stage IIA Ovarian Cancer / Stage IIB Fallopian Tube Cancer / Stage IIB Ovarian Cancer / Stage IIC Fallopian Tube Cancer / Stage IIC Ovarian Cancer / Stage IIIA Fallopian Tube Cancer / Stage IIIA Ovarian Cancer / Stage IIIA Primary Peritoneal Cancer / Stage IIIB Fallopian Tube Cancer / Stage IIIB Ovarian Cancer / Stage IIIB Primary Peritoneal Cancer / Stage IIIC Fallopian Tube Cancer / Stage IIIC Ovarian Cancer / Stage IIIC Primary Peritoneal Cancer / Stage IV Fallopian Tube Cancer / Stage IV Ovarian Cancer / Stage IV Primary Peritoneal Cancer / Undifferentiated Fallopian Tube Carcinoma / Undifferentiated Ovarian Carcinoma1
1Active Not RecruitingTreatmentHER2/Neu Negative / Recurrent Breast Carcinoma / Stage IIIB Breast Cancer / Stage IIIB Breast Cancer AJCC v7 / Stage IIIC Breast Cancer / Stage IIIC Breast Cancer AJCC v7 / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v71
1Active Not RecruitingTreatmentLeukemias / Malignant Lymphomas / Unspecified Adult Solid Tumor, Protocol Specific1
1Active Not RecruitingTreatmentMalignant Neoplasm of Pancreas1
1Active Not RecruitingTreatmentSolid Neoplasms / Stage III Non-Hodgkin Lymphoma / Stage IV Non-Hodgkin Lymphoma1
1CompletedNot AvailableCancer, Breast / Cancer, Ovarian / Lung Cancers / Malignant Neoplasm of Colon / Malignant Neoplasm of Stomach / Tumors, Solid1
1CompletedTreatmentAdenocarcinoma of the Cervix / Adenosquamous carcinoma of the cervix / Cervical Squamous Cell Carcinoma / Cervical Squamous Cell Carcinoma, Not Otherwise Specified / Recurrent Cervical Carcinoma / Stage IVB Cervical Cancer1
1CompletedTreatmentAdult Solid Neoplasm / Estrogen Receptor Negative / Estrogen Receptor Positive / HER2/Neu Negative / Male Breast Carcinoma / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer / Triple-Negative Breast Carcinoma1
1CompletedTreatmentAdult Solid Neoplasm / Brca1 Mutation Carrier / Brca2 Mutation Carrier / Hereditary Breast and Ovarian Cancer Syndrome1
1CompletedTreatmentAdult Solid Neoplasm / Brca1 Mutation Carrier / Brca2 Mutation Carrier1
1CompletedTreatmentAdvanced Solid Tumors2
1CompletedTreatmentAstrocytomas / Ependymomas / Medulloblastomas / PNET / Pontine Glioma1
1CompletedTreatmentBRCA Mutated / BRCA Mutated Breast Cancer / High Grade Serous Ovarian Cancer / Oncology1
1CompletedTreatmentBrain Diseases / Central Nervous System Diseases / Neoplasms Metastasis / Neoplasms, Brain / Nervous System Neoplasms1
1CompletedTreatmentCancer, Breast1
1CompletedTreatmentCancer, Breast / Cancer, Ovarian / Fallopian Tube Cancer / Hepatocellular,Carcinoma / Metastatic Melanoma / Non-hematologic Malignancies / Primary Peritoneal Cancer1
1CompletedTreatmentCancer, Breast / Cancer, Ovarian / Lung Cancers / Malignant Neoplasm of Colon / Malignant Neoplasm of Stomach / Tumors, Solid1
1CompletedTreatmentCancer, Ovarian1
1CompletedTreatmentChildhood Atypical Teratoid/Rhabdoid Tumor / Childhood Central Nervous System Germ Cell Tumor / Childhood Choroid Plexus Tumor / Childhood Craniopharyngioma / Childhood Ependymoblastoma / Childhood Grade I Meningioma / Childhood Grade II Meningioma / Childhood Grade III Meningioma / Childhood High-grade Cerebellar Astrocytoma / Childhood High-grade Cerebral Astrocytoma / Childhood Infratentorial Ependymoma / Childhood Low-grade Cerebellar Astrocytoma / Childhood Low-grade Cerebral Astrocytoma / Childhood Medulloepithelioma / Childhood Mixed Glioma / Childhood Oligodendroglioma / Childhood Supratentorial Ependymoma / Recurrent Childhood Brain Stem Glioma / Recurrent Childhood Brain Tumor / Recurrent Childhood Cerebellar Astrocytoma / Recurrent Childhood Cerebral Astrocytoma / Recurrent Childhood Ependymoma / Recurrent Childhood Medulloblastoma / Recurrent Childhood Pineoblastoma / Recurrent Childhood Spinal Cord Neoplasm / Recurrent Childhood Subependymal Giant Cell Astrocytoma / Recurrent Childhood Supratentorial Primitive Neuroectodermal Tumor / Recurrent Childhood Visual Pathway and Hypothalamic Glioma1
1CompletedTreatmentEstrogen Receptor-negative Breast Cancer / HER2-Negative Breast Cancer / Hereditary Breast/Ovarian Cancer - BRCA1 / Hereditary Breast/Ovarian Cancer - BRCA2 / Male Breast Cancer / Progesterone Receptor-negative Breast Cancer / Recurrent Breast Cancer / Stage IV Breast Cancer / Triple-Negative Breast Cancer (TNBC)1
1CompletedTreatmentLeukemias / Malignant Lymphomas / Unspecified Adult Solid Tumor, Protocol Specific1
1CompletedTreatmentLocally Advanced Rectal Cancer1
1CompletedTreatmentMalignant Lymphomas / Neoplasms1
1CompletedTreatmentMalignant Lymphomas / Tumors, Solid1
1CompletedTreatmentMalignant Neoplasm of Stomach1
1CompletedTreatmentMalignant Ovarian Mixed Epithelial Tumor / Ovarian Clear Cell Cystadenocarcinoma / Ovarian Endometrioid Adenocarcinoma / Ovarian Seromucinous Carcinoma / Ovarian Serous Cystadenocarcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Undifferentiated Ovarian Carcinoma1
1CompletedTreatmentProstate Cancer1
1CompletedTreatmentSolid Neoplasms1
1CompletedTreatmentTumors, Solid2
1RecruitingTreatmentAdult Hodgkin Lymphoma / Adult Non-Hodgkin's Lymphoma / Advanced Malignant Solid Neoplasm / Carcinoma, Breast / Carcinoma, Pancreatic / Colon Carcinoma / Deleterious BRCA1 Gene Mutation / Estrogen Receptor Negative / HER2/Neu Negative / Lung, Carcinoma / Lymphoma, Hodgkins / Metastatic Malignant Neoplasm / Metastatic Malignant Solid Neoplasm / Metastatic Solid Neoplasm / Neoplasms, Advanced Solid / Non-Hodgkin's Lymphoma (NHL) / Ovarian Carcinoma / Progesterone Receptor Negative / Solid Neoplasms / Stage III Breast Cancer / Stage III Breast Cancer AJCC V7 / Stage III Colon Cancer / Stage III Colon Cancer AJCC v7 / Stage III Lung Cancer / Stage III Lung Cancer AJCC v7 / Stage III Ovarian Cancer / Stage III Pancreatic Cancer / Stage III Pancreatic Cancer AJCC v6 and v7 / Stage IIIA Breast Cancer / Stage IIIA Breast Cancer AJCC v7 / Stage IIIA Colon Cancer / Stage IIIA Colon Cancer AJCC v7 / Stage IIIA Ovarian Cancer / Stage IIIB Breast Cancer / Stage IIIB Breast Cancer AJCC v7 / Stage IIIB Colon Cancer / Stage IIIB Colon Cancer AJCC v7 / Stage IIIB Ovarian Cancer / Stage IIIC Breast Cancer / Stage IIIC Breast Cancer AJCC v7 / Stage IIIC Colon Cancer / Stage IIIC Colon Cancer AJCC v7 / Stage IIIC Ovarian Cancer / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v7 / Stage IV Colon Cancer / Stage IV Colon Cancer AJCC v7 / Stage IV Lung Cancer / Stage IV Lung Cancer AJCC v7 / Stage IV Ovarian Cancer / Stage IV Pancreatic Cancer / Stage IV Pancreatic Cancer AJCC v6 and v7 / Stage IVA Colon Cancer / Stage IVA Colon Cancer AJCC v7 / Stage IVA Pancreatic Cancer / Stage IVB Colon Cancer / Stage IVB Colon Cancer AJCC v7 / Stage IVB Pancreatic Cancer / Triple-Negative Breast Carcinoma / Unresectable Malignant Neoplasm / Unresectable Solid Neoplasm1
1RecruitingTreatmentAdvanced Malignant Neoplasm / Advanced Malignant Solid Neoplasm / BRCA1 Gene Mutation / Brca1 Mutation Carrier / Brca2 Gene Mutation / Brca2 Mutation Carrier / Solid Neoplasms1
1RecruitingTreatmentAggressive Non-Hodgkin Lymphoma / Neoplasms, Advanced Solid / Recurrent Solid Neoplasm / Refractory Mantle Cell Lymphoma / T-Cell Non-Hodgkin Lymphoma / Unresectable Solid Neoplasm1
1RecruitingTreatmentBladder Carcinoma / Carcinoma of Unknown Primary Origin / Carcinoma, Breast / Endometrial Carcinoma / Lung, Carcinoma / Malignant Head and Neck Neoplasm / Melanoma / Neoplasms, Ovarian / Oesophageal Carcinoma / Ovarian Carcinoma / Renal Pelvis and Ureter Urothelial Carcinoma / Testicular Lymphoma / Urethral Carcinoma1
1RecruitingTreatmentEstrogen Receptor Negative / HER2/Neu Negative / Malignant Solid Neoplasm / Neuroendocrine Neoplasms / Progesterone Receptor Negative / Stage IIB Cervical Cancer / Stage IIIA Cervical Cancer / Stage IIIB Cervical Cancer / Stage IIIb Non-small Cell Lung Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer / Stage IV Cervical Cancer / Stage IV Gastric Cancer / Stage IV Gastric Cancer AJCC v7 / Stage IV Non-Small Cell Lung Cancer / Stage IV Ovarian Cancer / Stage IV Small Cell Lung Carcinoma / Triple-Negative Breast Carcinoma1
1RecruitingTreatmentNeoplasms1
1RecruitingTreatmentStage IV Fallopian Tube Cancer / Stage IV Ovarian Cancer / Stage IV Primary Peritoneal Cancer1
1TerminatedTreatmentAdenocarcinoma of the Pancreas / Adenocarcinoma of the Stomach / Brca1 Mutation Carrier / Brca2 Mutation Carrier / Ovarian Mucinous Cystadenocarcinoma / Recurrent Breast Cancer / Recurrent Colon Cancer / Recurrent Gastric Cancer / Recurrent Ovarian Epithelial Cancer / Recurrent Ovarian Germ Cell Tumor / Recurrent Pancreatic Cancer / Recurrent Rectal Cancer / Stage IA Breast Cancer / Stage IB Breast Cancer / Stage II Breast Cancer / Stage IIIA Breast Cancer / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Stage IV Breast Cancer / Stage IV Colon Cancer / Stage IV Gastric Cancer / Stage IV Ovarian Epithelial Cancer / Stage IV Ovarian Germ Cell Tumor / Stage IV Pancreatic Cancer / Stage IV Rectal Cancer / Unspecified Adult Solid Tumor, Protocol Specific1
1TerminatedTreatmentAdvanced Adult Primary Liver Cancer / Localized Unresectable Adult Primary Liver Cancer / Metastatic Transitional Cell Cancer of the Renal Pelvis and Ureter / Regional Transitional Cell Cancer of the Renal Pelvis and Ureter / Stage III Bladder Cancer / Stage III Pancreatic Cancer / Stage IIIA Non-Small Cell Lung Cancer / Stage IIIb Non-small Cell Lung Cancer / Stage IV Bladder Cancer / Stage IV Non-Small Cell Lung Cancer / Stage IV Pancreatic Cancer / Transitional Cell Carcinoma of the Bladder / Unresectable Extrahepatic Bile Duct Cancer / Unresectable Gallbladder Cancer1
1Unknown StatusTreatmentMultiple Myeloma (MM)1
1WithdrawnTreatmentFunctional Pancreatic Neuroendocrine Tumor / Malignant Somatostatinoma / Metastatic Adrenal Gland Pheochromocytoma / Metastatic Carcinoid Tumors / Multiple Endocrine Neoplasia Type 1 / Multiple Endocrine Neoplasia Type 2a / Multiple Endocrine Neoplasia Type 2B / Neuroendocrine Carcinoma of the Skin / Neuroendocrine Neoplasms / Non-Functional Pancreatic Neuroendocrine Tumor / Pancreatic Glucagonoma / Pancreatic Insulinoma / Recurrent Adrenal Cortex Carcinoma / Recurrent Adrenal Gland Pheochromocytoma / Recurrent Merkel Cell Carcinoma / Somatostatin-Producing Neuroendocrine Tumor / Stage III Adrenal Cortex Carcinoma / Stage III Thyroid Gland Medullary Carcinoma / Stage IIIA Merkel Cell Carcinoma / Stage IIIB Merkel Cell Carcinoma / Stage IV Adrenal Cortex Carcinoma / Stage IV Merkel Cell Carcinoma / Stage IVA Thyroid Gland Medullary Carcinoma / Stage IVB Thyroid Gland Medullary Carcinoma / Stage IVC Thyroid Gland Medullary Carcinoma / Thymic Carcinoid Tumor / VIP-Producing Neuroendocrine Tumor / Well Differentiated Adrenal Cortex Carcinoma / Zollinger-Ellison Syndrome1
1WithdrawnTreatmentNeoplasms1
1, 2Active Not RecruitingTreatmentAdenocarcinoma of the Lung / Bronchioloalveolar Carcinoma / Large Cell Lung Carcinoma / Lung Adenocarcinoma, Mixed Subtype / Minimally Invasive Lung Adenocarcinoma / Squamous Cell Lung Carcinoma / Stage III Non-Small Cell Lung Cancer / Stage III Non-Small Cell Lung Cancer AJCC v7 / Stage IIIA Non-Small Cell Lung Cancer / Stage IIIA Non-Small Cell Lung Cancer AJCC v7 / Stage IIIb Non-small Cell Lung Cancer / Stage IIIB Non-Small Cell Lung Cancer AJCC v71
1, 2Active Not RecruitingTreatmentAnaplastic Astrocytoma (AA) / Brain Stem Gliomas / Childhood Mixed Glioma / Fibrillary Astrocytoma / Giant Cell Glioblastoma / Glioblastomas / Gliosarcoma / Untreated Childhood Anaplastic Astrocytoma / Untreated Childhood Brain Stem Glioma / Untreated Childhood Fibrillary Astrocytoma / Untreated Childhood Giant Cell Glioblastoma / Untreated Childhood Glioblastoma / Untreated Childhood Gliosarcoma1
1, 2Active Not RecruitingTreatmentBrain and Central Nervous System Tumors1
1, 2Active Not RecruitingTreatmentCarcinoma of Unknown Primary Origin / Carcinoma, Small Cell / Extensive Stage Small Cell Lung Carcinoma / Large Cell Lung Carcinoma / Neuroendocrine Carcinomas / Newly Diagnosed Carcinoma of Unknown Primary Origin / Stage IV Non-Small Cell Lung Cancer / Stage IV Non-Small Cell Lung Cancer AJCC v71
1, 2CompletedTreatmentAdult B Acute Lymphoblastic Leukemia / Adult Nasal Type Extranodal NK/T-Cell Lymphoma / Adult Solid Neoplasm / Anaplastic Large Cell Lymphoma / Angioimmunoblastic T-Cell Lymphoma / Chronic Lymphocytic Leukaemia (CLL) / Cutaneous B-Cell Non-Hodgkin Lymphoma / Extranodal Marginal Zone Lymphoma of Mucosa-Associated Lymphoid Tissue / Hepatosplenic T-Cell Lymphoma / Intraocular Lymphoma / Lymphomatous Involvement of Non-Cutaneous Extranodal Site / Mature T-Cell and NK-Cell Non-Hodgkin Lymphoma / Nodal Marginal Zone Lymphoma / Recurrent Adult Acute Lymphoblastic Leukemia / Recurrent Adult Burkitt Lymphoma / Recurrent Adult Diffuse Large Cell Lymphoma / Recurrent Adult Diffuse Mixed Cell Lymphoma / Recurrent Adult Diffuse Small Cleaved Cell Lymphoma / Recurrent Adult Grade III Lymphomatoid Granulomatosis / Recurrent Adult Hodgkin's Lymphoma / Recurrent Adult Immunoblastic Lymphoma / Recurrent Adult Lymphoblastic Lymphoma / Recurrent Adult T-Cell Leukemia/Lymphoma / Recurrent Cutaneous T-Cell Non-Hodgkin Lymphoma / Recurrent Grade 1 Follicular Lymphoma / Recurrent Grade 2 Follicular Lymphoma / Recurrent Grade 3 Follicular Lymphoma / Recurrent Mantle Cell Lymphoma / Recurrent Marginal Zone Lymphoma / Recurrent Mycosis Fungoides and Sezary Syndrome / Recurrent Small Lymphocytic Lymphoma / Refractory Chronic Lymphocytic Leukemia / Refractory Hairy Cell Leukemia / Refractory Plasma Cell Myeloma / Small Intestinal Lymphoma / Splenic Marginal Zone Lymphoma / Testicular Lymphoma / Waldenstrom's Macroglobulinemia (WM)1
1, 2CompletedTreatmentBrain and Central Nervous System Tumors1
1, 2CompletedTreatmentCancer, Ovarian1
1, 2CompletedTreatmentRecurrent, Epithelial Ovarian Cancer1
1, 2RecruitingTreatmentAdult Solid Neoplasm / Metastatic Malignant Solid Neoplasm / Metastatic Solid Neoplasm / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Unresectable Solid Neoplasm1
1, 2RecruitingTreatmentPancreatic Cancer Metastatic1
1, 2SuspendedTreatmentHead and Neck Squamous Cell Carcinoma (HNSCC) / Human Papillomavirus Infections / Salivary Gland Squamous Cell Carcinoma / Stage IVA Hypopharyngeal Squamous Cell Carcinoma / Stage IVA Laryngeal Squamous Cell Carcinoma / Stage IVA Lip and Oral Cavity Squamous Cell Carcinoma / Stage IVA Major Salivary Gland Carcinoma / Stage IVA Nasal Cavity and Paranasal Sinus Squamous Cell Carcinoma / Stage IVA Oropharyngeal Carcinoma / Stage IVA Oropharyngeal Carcinoma AJCC v7 / Stage IVA Oropharyngeal Squamous Cell Carcinoma / Stage IVB Hypopharyngeal Squamous Cell Carcinoma / Stage IVB Laryngeal Squamous Cell Carcinoma / Stage IVB Lip and Oral Cavity Squamous Cell Carcinoma / Stage IVB Major Salivary Gland Carcinoma / Stage IVB Nasal Cavity and Paranasal Sinus Squamous Cell Carcinoma / Stage IVB Oropharyngeal Carcinoma / Stage IVB Oropharyngeal Carcinoma AJCC v7 / Stage IVB Oropharyngeal Squamous Cell Carcinoma / Tongue Carcinoma1
2Active Not RecruitingTreatmentBRCA1 Gene Mutation / Brca2 Gene Mutation / Cancer, Breast / Metastatic Breast Cancer (MBC)1
2Active Not RecruitingTreatmentCastration Levels of Testosterone / Castration-Resistant Prostate Carcinoma / Hormone-Resistant Prostate Cancer / PSA Progression / Recurrent Prostate Carcinoma / Stage IV Prostate Cancer1
2Active Not RecruitingTreatmentEstrogen Receptor-negative Breast Cancer / HER2-Negative Breast Cancer / Progesterone Receptor-negative Breast Cancer / Stage II Breast Cancer / Stage IIIA Breast Cancer / Stage IIIB Breast Cancer / Stage IIIC Breast Cancer / Triple-Negative Breast Cancer (TNBC)1
2Active Not RecruitingTreatmentMetastatic Breast Cancer (MBC)1
2Active Not RecruitingTreatmentBrca1 Mutation Carrier / Brca2 Mutation Carrier / Ovarian Epithelial Tumor / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma1
2Active Not RecruitingTreatmentBrca1 Mutation Carrier / Brca2 Mutation Carrier / Recurrent Breast Carcinoma / Stage IIIB Breast Cancer / Stage IIIB Breast Cancer AJCC v7 / Stage IIIC Breast Cancer / Stage IIIC Breast Cancer AJCC v7 / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v71
2CompletedTreatmentAdenocarcinoma of the Cervix / Adenosquamous carcinoma of the cervix / Cervical Small Cell Carcinoma / Cervical Squamous Cell Carcinoma / Recurrent Cervical Carcinoma / Stage III Cervical Cancer / Stage IVA Cervical Cancer / Stage IVB Cervical Cancer1
2CompletedTreatmentBrain Metastases From Non-small Cell Lung Cancer1
2CompletedTreatmentCancer, Ovarian1
2CompletedTreatmentColorectal Cancers1
2CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC)1
2CompletedTreatmentMelanoma / Metastatic Melanoma / Skin Cancers1
2CompletedTreatmentRecurrent Small Cell Lung Carcinoma1
2CompletedTreatmentSolid Tumor Cancers1
2CompletedTreatmentUntreated Metastatic Colorectal Cancer1
2Not Yet RecruitingTreatmentAcute Myeloid Leukemia Arising From Previous Myelodysplastic Syndrome / Agnogenic Myeloid Metaplasia / Atypical Chronic Myeloid Leukemia, BCR-ABL1 Negative / Chronic Myelomonocytic Leukemia / Essential Thrombocythemia (ET) / Leukemia Acute Myeloid Leukemia (AML) / Myelodysplastic/Myeloproliferative Neoplasms / Polycythemia Vera (PV) / Recurrent Adult Acute Myeloid Leukemia / Refractory Acute Myeloid Leukemia1
2Not Yet RecruitingTreatmentCancers1
2RecruitingTreatmentAdenocarcinoma of the Pancreas / Brca1 Mutation Carrier / Brca2 Mutation Carrier / PALB2 Gene Mutation / Pancreatic Adenocarcinoma Metastatic / Recurrent Pancreatic Carcinoma / Stage III Pancreatic Cancer / Stage III Pancreatic Cancer AJCC v6 and v7 / Stage IV Pancreatic Cancer / Stage IV Pancreatic Cancer AJCC v6 and v71
2RecruitingTreatmentAdvanced Malignant Solid Neoplasm / Neoplasms / Neoplasms, Advanced Solid / Recurrent Malignant Solid Neoplasm / Recurrent Solid Neoplasm1
2RecruitingTreatmentBRCA1 Gene Mutation / Brca2 Gene Mutation / Estrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Recurrent Breast Carcinoma / Stage III Breast Cancer / Stage III Breast Cancer AJCC V7 / Stage IIIA Breast Cancer / Stage IIIA Breast Cancer AJCC v7 / Stage IIIB Breast Cancer / Stage IIIB Breast Cancer AJCC v7 / Stage IIIC Breast Cancer / Stage IIIC Breast Cancer AJCC v7 / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v7 / Triple-Negative Breast Carcinoma1
2RecruitingTreatmentBrca1 Mutation Carrier / Brca2 Mutation Carrier / Breast Carcinoma Metastatic in the Brain / Estrogen Receptor Negative / HER2/Neu Negative / Progesterone Receptor Negative / Stage IV Breast Cancer / Stage IV Breast Cancer AJCC v6 and v7 / Triple-Negative Breast Carcinoma1
2RecruitingTreatmentCancer, Breast / Neoplasms, Breast / Tumors, Breast1
2RecruitingTreatmentLocally Advanced Non-Small Cell Lung Cancer1
2RecruitingTreatmentLung Cancer Small Cell Lung Cancer (SCLC)1
2RecruitingTreatmentMetastatic or Advanced Non-Small Cell Lung Cancer (NSCLC)1
2RecruitingTreatmentPancreatic Adenocarcinoma Metastatic / Recurrent Pancreatic Carcinoma / Stage IV Pancreatic Cancer / Stage IV Pancreatic Cancer AJCC v6 and v71
2RecruitingTreatmentRectal Adenocarcinoma / Stage II Rectal Cancer / Stage II Rectal Cancer AJCC v7 / Stage III Rectal Cancer / Stage III Rectal Cancer AJCC v71
2RecruitingTreatmentTesticular Cancer1
2TerminatedTreatmentCancer, Ovarian / Fallopian Tube Cancer / Fallopian Tubes / Ovarian / Primary Peritoneal / Primary Peritoneal Cancer / Serous Carcinoma / Serous Carcinoma Cancer / Triple-Negative Breast / Triple-Negative Breast Cancer (TNBC)1
2TerminatedTreatmentHepatocellular,Carcinoma1
2WithdrawnTreatmentBRCA1 Mutations / BRCA2 Mutation / Breast Cancer Metastatic / Cancer, Ovarian1
2, 3RecruitingTreatmentGlioblastomas / Gliosarcoma1
3Active Not RecruitingTreatmentCancer, Ovarian / Neoplasms, Ovarian1
3Active Not RecruitingTreatmentNon-Squamous Non-Small Cell Lung Cancer1
3Active Not RecruitingTreatmentSquamous Non-Small Cell Lung Cancer1
3Active Not RecruitingTreatmentTriple Negative Breast Cancer (TNBC)1
3RecruitingTreatmentMetastatic Breast Cancer (MBC)1
Not AvailableActive Not RecruitingTreatmentMetastatic Triple Negative Breast Cancer1
Not AvailableAvailableNot AvailableCancers1
Not AvailableAvailableNot AvailableMetastatic Breast Cancer With BRCA 1 or BRCA 2 Genetic Mutation / Triple-Negative Breast Cancer (TNBC)1

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

Taxonomy

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
Benzimidazole / Aralkylamine / Benzenoid / Azole / Imidazole / Pyrrolidine / Heteroaromatic compound / Amino acid or derivatives / Carboxamide group / Primary carboxylic acid amide
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
benzimidazoles (CHEBI:62880)

Targets

Kind
Protein
Organism
Human
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
Human
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 November 09, 2017 04:07