Molecule Details
| InChIKey | VUJHWZDCLPHWMO-VIFPVBQESA-N |
|---|---|
| Compound Name | Inhibitor 66a |
| Canonical SMILES | O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(C(=O)O)c2)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.85 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 7.3 | Ki | ChEMBL;BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 6.9 | Ki | ChEMBL;BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 6.9 | Ki | ChEMBL;BindingDB |
| P55212 | CASP6 | Homo sapiens | Human | PF00656 | 6.3 | Ki | ChEMBL;BindingDB |