Molecule Details
InChIKeyRHWKPHLQXYSBKR-BMIGLBTASA-N
Compound NameDolutegravir
Canonical SMILESC[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.59
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08930
Drug NameDolutegravir
CAS Number1051375-16-6
Groups approved investigational
ATC Codes J05AR29 J05AR27 J05AJ03 J05AR13 J05AR25 J05AR21
DescriptionDolutegravir is an HIV-1 integrase inhibitor that blocks the strand transfer step of the integration of the viral genome into the host cell (INSTI).[A7514] The effect of this drug has no homology in human host cells, which gives it excellent tolerability and minimal toxicity.[A31342] Dolutegravir wa...

Categories: Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals used in combination for the treatment of HIV infections BCRP/ABCG2 Substrates Direct Acting Antivirals Enzyme Inhibitors HIV Integrase Inhibitors Heterocyclic Compounds, Fused-Ring Human Immunodeficiency Virus Integrase Strand Transfer Inhibitor Integrase Inhibitors MATE 1 Inhibitors MATE inhibitors OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OCT2 Inhibitors P-glycoprotein substrates UGT1A1 Substrates UGT1A3 substrates UGT1A9 Substrates
Cross-references: BindingDB: 50062551 ChEBI: 76010 CHEMBL1229211 ChemSpider: 25051637 Drugs Product Database (DPD): 21556 D10066 PDB: DLU PharmGKB: PA166114961 PubChem:54726191 PubChem:175427161 RxCUI: 1433868 Wikipedia: Dolutegravir ZINC: ZINC000058581064
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q5BJF2 TMEM97 Homo sapiens Human PF05241 7.7 Ki ChEMBL;BindingDB
Q7ZJM1 pol Human immunodeficiency virus type 1 Pathogen PF00552 PF02022 PF00665 7.9 IC50 ChEMBL
Q76353 Human immunodeficiency virus type 1 Pathogen PF00552 PF02022 PF00665 7.2 IC50 BindingDB
DrugBank Target Actions (14)
Target Gene Target Name Action Type
P02763 P02763 alpha1-acid glycoprotein binder carriers
P02768 ALB Albumin binder carriers
O60656 O60656 UDP-glucuronosyltransferase 1A9 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A Subfamily substrate enzymes
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 substrate enzymes
P35503 P35503 UDP-glucuronosyltransferase 1A3 substrate enzymes
Q7ZJM1 pol Gag-Pol polyprotein inhibitor targets
P03366 gag-pol Gag-Pol polyprotein modulator targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 inhibitor transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 inhibitor transporters
Q96FL8 SLC47A1 Multidrug and toxin extrusion protein 1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 substrate transporters