Molecule Details
| InChIKey | YHPGGDKFNAIFIV-AGYXVXSJSA-N |
|---|---|
| Compound Name | tert-butyl N-[(2S)-1-[(1R,2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-7-methyl-1,5-dioxooct-6-en-2-yl]carbamate |
| Canonical SMILES | CC(C)=CC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.04 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A3EZI9 | NS3 | Hepacivirus hominis | Pathogen | PF07652 PF22027 PF02907 | 7.0 | IC50 | ChEMBL |
| D2K2A8 | NS4A | Hepacivirus hominis | Pathogen | PF01006 | 7.0 | IC50 | ChEMBL |
| P26664 | Hepatitis C virus genotype 1a (isolate 1) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 7.0 | IC50 | BindingDB |