Molecule Details
| InChIKey | LFGSEWXATFKDOY-YDPTYEFTSA-N |
|---|---|
| Canonical SMILES | COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C#CC#Cc2ccc(-c3c[nH]c([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)n3)cc2)c[nH]1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 10.57 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9WMX2 | Hepatitis C virus genotype 1b (isolate Con1) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 11.5 | IC50 | BindingDB | |
| Q5L478 | NS5A | Hepacivirus hominis | Pathogen | PF01506 PF08300 PF08301 PF12941 | 9.7 | IC50 | ChEMBL;BindingDB |