Molecule Details
| InChIKey | CBVONKNRKVRZIS-HLCMLFPZSA-N |
|---|---|
| Compound Name | Thieno(3,2-c)pyridine-6-carboxamide, 5-(3-((2-(acetylamino)-1-oxo-3-(8-quinolinylsulfonyl)propyl)amino)-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)octahydro-, (3aR-(3aalpha,5(2R*,3S*(S*)),6beta,7aalpha))- |
| Canonical SMILES | CC(=O)N[C@H](CS(=O)(=O)c1cccc2cccnc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.38 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| 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 | 9.4 | IC50 | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.4 | IC50 | ChEMBL |