Molecule Details
| InChIKey | SIQQBFWEHZXLAO-XJDOXCRVSA-N |
|---|---|
| Compound Name | 2-(2-((S)-2-(benzyloxycarbonyl)-3-methylbutanamido)benzamido)-4-fluoro-3-oxobutanoic acid |
| Canonical SMILES | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(=O)CF |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P55211 | CASP9 | Homo sapiens | Human | PF00619 PF00656 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 8.2 | IC50 | ChEMBL;BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 8.0 | IC50 | ChEMBL;BindingDB |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 7.9 | IC50 | ChEMBL;BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.5 | IC50 | ChEMBL;BindingDB |
| P55212 | CASP6 | Homo sapiens | Human | PF00656 | 7.2 | IC50 | ChEMBL;BindingDB |