Molecule Details
| InChIKey | MUULRSITXOVVFK-WGAQAMEHSA-N |
|---|---|
| Compound Name | 5-((2S)-2-(N-(tert-Butyl)carbamoyl)-4-(1-furano(4,5-c)pyridin-2-yl-isopropyl)piperazinyl)(4S,2R)-N-((3S,4S)-3-hydroxychroman-4-yl)-4-hydroxy-2-benzylpentanamide |
| Canonical SMILES | CC(C)(C)NC(=O)[C@@H]1CN(C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.91 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.5 | IC50 | ChEMBL;BindingDB |
| 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 | 10.1 | IC50 | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 10.1 | IC50 | ChEMBL |