Molecule Details
| InChIKey | YMEKXPCNYWVNEK-SHUZPENHSA-N |
|---|---|
| Compound Name | cyclopentyl N-[(1S,2S)-1-benzyl-2-[4-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-5-(hydroxymethyl)triazol-1-yl]-3-phenyl-propyl]carbamate |
| Canonical SMILES | Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.1 |
| 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 | 8.1 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.1 | Ki | ChEMBL |
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.1 | Ki | ChEMBL;BindingDB |