Molecule Details
| InChIKey | SOLUWJRYJLAZCX-LYOVBCGYSA-N |
|---|---|
| Compound Name | Bictegravir |
| Canonical SMILES | O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11799 |
|---|---|
| Drug Name | Bictegravir |
| CAS Number | 1611493-60-7 |
| Groups | approved investigational |
| ATC Codes | J05AR20 |
| Description | Bictegravir is a recently approved investigational drug that has been used in trials studying the treatment of HIV-1 and HIV-2 infection. It has been approved for HIV-1 monotherapy combined with 2 other antiretrovirals in a single tablet.[L43677] |
Categories: Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals used in combination for the treatment of HIV infections Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Direct Acting Antivirals Heterocyclic Compounds, Fused-Ring Human Immunodeficiency Virus Integrase Strand Transfer Inhibitor MATE 1 Inhibitors MATE inhibitors Pyridines UGT1A1 Substrates
Cross-references: BindingDB: 330048 ChEBI: 172943 CHEMBL3989866 ChemSpider: 44208822 Drugs Product Database (DPD): 22967 PDB: KLQ PubChem:90311989 PubChem:347828148 RxCUI: 1999660 Wikipedia: Bictegravir
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15244 | SLC22A2 | Homo sapiens | Human | PF00083 | 6.3 | IC50 | ChEMBL;BindingDB |
| P09086 | POU2F2 | Homo sapiens | Human | PF00046 PF00157 | 6.3 | IC50 | BindingDB |
| Q76353 | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 8.1 | IC50 | BindingDB | |
| Q7ZJM1 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 8.1 | IC50 | ChEMBL |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P09086 | POU2F2 | POU domain, class 2, transcription factor 2 | inhibitor | enzymes |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| Q72547 | pol | Reverse transcriptase/RNaseH | antagonist | targets |
| Q7ZJM1 | pol | Gag-Pol polyprotein | antagonist | targets |