Molecule Details
| InChIKey | WCWSTNLSLKSJPK-LKFCYVNXSA-N |
|---|---|
| Canonical SMILES | C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11751 |
|---|---|
| Drug Name | Cabotegravir |
| CAS Number | 1051375-10-0 |
| Groups | approved investigational |
| ATC Codes | J05AJ04 |
| Description | Cabotegravir, or GSK1265744, is an HIV-1 integrase inhibitor that is prescribed with the non-nucleoside reverse transcriptase inhibitor, [rilpivirine].[A227668,L31188,L31193] Early research into cabotegravir showed it had lower oral bioavailability than [dolutegravir],[A227668] which resulted in the... |
Categories: Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use BCRP/ABCG2 Substrates Direct Acting Antivirals Enzyme Inhibitors HIV Integrase Inhibitors Human Immunodeficiency Virus Integrase Strand Transfer Inhibitor Integrase Inhibitors OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors Organic Anion Transporter 1 Inhibitors P-glycoprotein substrates Piperazines Pyridines UGT1A1 Substrates UGT1A9 Substrates
Cross-references: BindingDB: 50492496 ChEBI: 172944 CHEMBL2403238 ChemSpider: 30829503 Drugs Product Database (DPD): 23435 PubChem:54713659 PubChem:347828108 RxCUI: 2475077 Wikipedia: Cabotegravir ZINC: ZINC000096927633
Target Activities (2)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P03366 | gag-pol | Gag-Pol polyprotein | inhibitor | targets |
| Q7ZJM1 | pol | Gag-Pol polyprotein | inhibitor | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |