Molecule Details
| InChIKey | HFHFKADRFFQQFW-MUUNZHRXSA-N |
|---|---|
| Compound Name | 2-(4-fluorophenyl)-5-[3-[(1S)-1-(4-fluorophenyl)-2-hydroxyethyl]-4-oxo-1,2,3-benzotriazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide |
| Canonical SMILES | CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4nnn([C@H](CO)c5ccc(F)cc5)c(=O)c4c3)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.15 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27958 | Hepatitis C virus genotype 1a (isolate H77) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 8.2 | IC50 | BindingDB | |
| A3EZI9 | NS3 | Hepacivirus hominis | Pathogen | PF07652 PF22027 PF02907 | 8.1 | IC50 | ChEMBL |
| D2K2A8 | NS4A | Hepacivirus hominis | Pathogen | PF01006 | 8.1 | IC50 | ChEMBL |