Molecule Details
InChIKeyFDLYAMZZIXQODN-UHFFFAOYSA-N
Compound NameOlaparib
Canonical SMILESO=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 pChEMBL7.23
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB09074
Drug NameOlaparib
CAS Number763113-22-0
Groups approved investigational
ATC Codes L01XK01
DescriptionOlaparib 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