Molecule Details
| InChIKey | VTDODEQREQSSAV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[3-Chloro-4-[[2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]-2,2-dimethyl-but-3-ynoic acid |
| Canonical SMILES | CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.7 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 8.0 | IC50 | BindingDB |
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 7.5 | IC50 | ChEMBL |
| Q9WJQ2 | reverse transcriptase | Human immunodeficiency virus type 1 | Pathogen | PF00078 | 7.5 | IC50 | BindingDB |