Molecule Details
| InChIKey | FDLYAMZZIXQODN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Olaparib |
| Canonical SMILES | O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.23 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09074 |
|---|---|
| Drug Name | Olaparib |
| CAS Number | 763113-22-0 |
| Groups | approved investigational |
| ATC Codes | L01XK01 |
| Description | Olaparib is a selective and potent inhibitor of poly (ADP-ribose) polymerase (PARP) enzymes, PARP1 and PARP2.[L41100, L40908, L43792] PARP inhibitors represent a novel class of anti-cancer therapy and they work by taking advantage of a defect in DNA repair in cancer cells with BRCA mutations and ind... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Inducers Cytochrome P-450 CYP3A5 Inducers (strength unknown) Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (weak) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Immunosuppressive Agents MATE 1 Inhibitors MATE 2-K Inhibitors MATE inhibitors Myelosuppressive Agents Narrow Therapeutic Index Drugs OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors OCT1 inhibitors OCT2 Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Poly (ADP-ribose) polymerase (PARP) inhibitors Poly(ADP-ribose) Polymerase Inhibitors Pyridazines UGT1A1 Inhibitors
Cross-references: BindingDB: 27566 ChEBI: 83766 CHEMBL521686 ChemSpider: 23343272 Drugs Product Database (DPD): 22712 D09730 PDB: 09L RxCUI: 1597582 Wikipedia: Olaparib ZINC: ZINC000040430143
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 9.0 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 8.3 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q2NL67 | PARP6 | Homo sapiens | Human | PF00644 | 6.9 | IC50 | ChEMBL |
| Q8N3A8 | PARP8 | Homo sapiens | Human | PF00644 | 6.6 | IC50 | ChEMBL |
| Q53GL7 | PARP10 | Homo sapiens | Human | PF00644 PF23085 | 6.4 | IC50 | ChEMBL |
| Q9UKK3 | PARP4 | Homo sapiens | Human | PF00533 PF00644 PF26156 PF08487 PF00092 PF26166 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 6.2 | IC50 | ChEMBL |
| Q9H0J9 | PARP12 | Homo sapiens | Human | PF00644 PF24356 PF02825 PF23466 PF25261 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (15)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inhibitor | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P09874 | PARP1 | Poly [ADP-ribose] polymerase 1 | inhibitor | targets |
| P42330 | AKR1C3 | Aldo-keto reductase family 1 member C3 | inhibitor | targets |
| Q9UGN5 | PARP2 | Poly [ADP-ribose] polymerase 2 | inhibitor | targets |
| Q9Y6F1 | PARP3 | Protein mono-ADP-ribosyltransferase PARP3 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |