Molecule Details
| InChIKey | ANNPALXBOKTDBF-VYIIXAMBSA-N |
|---|---|
| Compound Name | 3-[(S)-2-(2,4-Dichloro-benzyloxycarbonylamino)-3-methyl-butyrylamino]-5-fluoro-4-oxo-pentanoic acid |
| Canonical SMILES | CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(=O)O)C(=O)CF |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.97 |
| 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 | 8.2 | IC50 | ChEMBL;BindingDB |
| P55211 | CASP9 | Homo sapiens | Human | PF00619 PF00656 | 8.1 | IC50 | ChEMBL;BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 8.0 | IC50 | ChEMBL;BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.6 | IC50 | ChEMBL;BindingDB |