Molecule Details
| InChIKey | JUZYLCPPVHEVSV-LJQANCHMSA-N |
|---|---|
| Compound Name | Elvitegravir |
| Canonical SMILES | COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.29 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09101 |
|---|---|
| Drug Name | Elvitegravir |
| CAS Number | 697761-98-1 |
| Groups | approved investigational |
| ATC Codes | J05AJ02 J05AR09 J05AR18 |
| Description | Elvitegravir is a human immunodeficiency virus type 1 (HIV-1) integrase strand transfer inhibitor (INSTI) used for the treatment of HIV-1 infection in antiretroviral treatment-experienced adults. Because integrase is necessary for viral replication, inhibition prevents the integration of HIV-1 DNA i... |
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 Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Enzyme Inhibitors HIV Integrase HIV Integrase Inhibitors Heterocyclic Compounds, Fused-Ring Human Immunodeficiency Virus Integrase Strand Transfer Inhibitor Integrase Inhibitors Quinolines UGT1A1 Substrates
Cross-references: BindingDB: 50183273 ChEBI: 72289 CHEMBL204656 ChemSpider: 4441060 Drugs Product Database (DPD): 21507 PDB: ELV PubChem:5277135 PubChem:310265026 RxCUI: 1306286 Wikipedia: Elvitegravir ZINC: ZINC000013682481
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q86U44 | METTL3 | Homo sapiens | Human | PF05063 | 8.3 | Kd | ChEMBL |
| P05961 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate MN) | Pathogen | PF00540 PF00607 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 8.5 | IC50 | BindingDB |
| Q76353 | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 8.2 | IC50 | BindingDB | |
| Q7ZJM1 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 8.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| Q7ZJM1 | pol | Gag-Pol polyprotein | inhibitor | targets |
| P03366 | gag-pol | Gag-Pol polyprotein | modulator | targets |