Molecule Details
| InChIKey | ZIHXHTFVLKLWNX-GFKYRSCYSA-N |
|---|---|
| Compound Name | (1R,4R,6S,7Z,16R,18S)-N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-3,14-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide |
| Canonical SMILES | COc1ccc2c(O[C@H]3C[C@H]4C(=O)NCCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.88 |
| 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 | 9.2 | Ki | ChEMBL |
| B0B3F0 | NS3/4A | Hepacivirus hominis | Pathogen | PF07652 PF01006 PF22027 PF02907 | 9.2 | Ki | BindingDB |
| D2K2A8 | NS4A | Hepacivirus hominis | Pathogen | PF01006 | 9.2 | Ki | ChEMBL |
| K7XGM7 | Hepacivirus hominis | Pathogen | PF07652 PF01006 PF22027 PF02907 | 8.0 | Ki | BindingDB |