Molecule Details
| InChIKey | JNAHVYVRKWKWKQ-CYBMUJFWSA-N |
|---|---|
| Compound Name | Veliparib |
| Canonical SMILES | C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07232 |
|---|---|
| Drug Name | Veliparib |
| CAS Number | 912444-00-9 |
| Groups | investigational |
| ATC Codes | L01XK05 |
| Description | nan |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Poly (ADP-ribose) polymerase (PARP) inhibitors Poly(ADP-ribose) Polymerase Inhibitors
Cross-references: BindingDB: 27135 ChEBI: 62880 CHEMBL506871 ChemSpider: 10134775 PDB: 78P PharmGKB: PA166131609 PubChem:11960529 PubChem:99443703 Wikipedia: Veliparib ZINC: ZINC000084610155
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9UKK3 | PARP4 | Homo sapiens | Human | PF00533 PF00644 PF26156 PF08487 PF00092 PF26166 | 7.0 | Kd | ChEMBL |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 6.6 | Kd | ChEMBL |