Molecule Details
| InChIKey | LYPMUUHUNIGEOB-OTVJIGPHSA-N |
|---|---|
| Compound Name | (1R,4R,6S,7Z,15R,17R)-17-[8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-N-(1-methylcyclopropyl)sulfonyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide |
| Canonical SMILES | COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.52 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A3EZI9 | NS3 | Hepacivirus hominis | Pathogen | PF07652 PF22027 PF02907 | 9.5 | Ki | ChEMBL |
| B0B3F0 | NS3/4A | Hepacivirus hominis | Pathogen | PF07652 PF01006 PF22027 PF02907 | 9.5 | Ki | BindingDB |
| D2K2A8 | NS4A | Hepacivirus hominis | Pathogen | PF01006 | 9.5 | Ki | ChEMBL |
| K7XGM7 | Hepacivirus hominis | Pathogen | PF07652 PF01006 PF22027 PF02907 | 9.5 | Ki | BindingDB |