Molecule Details
| InChIKey | HWGQMRYQVZSGDQ-HZPDHXFCSA-N |
|---|---|
| Compound Name | Talazoparib |
| Canonical SMILES | Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.92 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11760 |
|---|---|
| Drug Name | Talazoparib |
| CAS Number | 1207456-01-6 |
| Groups | approved investigational |
| ATC Codes | L01XK04 |
| Description | Talazoparib is an inhibitor of mammalian polyadenosine 5’-diphosphoribose polymerases (PARPs), enzymes responsible for regulating essential cellular functions, such as DNA transcription and DNA repair.[L47236] Developed by Pfizer, talazoparib was first approved by the FDA in October 2018 [A260346] a... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Substrates Enzyme Inhibitors Narrow Therapeutic Index Drugs P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Poly (ADP-ribose) polymerase (PARP) inhibitors Poly(ADP-ribose) Polymerase Inhibitors Pyridazines
Cross-references: BindingDB: 50084621 CHEMBL3137320 ChemSpider: 28637772 Drugs Product Database (DPD): 23356 PDB: 2YQ PubChem:44819241 PubChem:347828114 RxCUI: 2099704 Wikipedia: Talazoparib ZINC: ZINC000072318110
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q9UKK3 | PARP4 | Homo sapiens | Human | PF00533 PF00644 PF26156 PF08487 PF00092 PF26166 | 9.2 | Kd | ChEMBL |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.6 | Kd | ChEMBL |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 7.6 | Kd | ChEMBL |
| Q9NR21 | PARP11 | Homo sapiens | Human | PF00644 PF02825 | 6.8 | IC50 | ChEMBL |
| Q8N5Y8 | PARP16 | Homo sapiens | Human | PF18084 PF00644 | 6.0 | Kd | ChEMBL |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P09874 | PARP1 | Poly [ADP-ribose] polymerase 1 | inhibitor | targets |
| Q9UGN5 | PARP2 | Poly [ADP-ribose] polymerase 2 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |