Molecule Details
| InChIKey | NHHJXCJHJPGPEF-JYEBCORGSA-N |
|---|---|
| Compound Name | (3S)-3-((2S)-2-((4S)-4-((3S)-3-acetamido-3-formamidopropanoic acid)-4-formamidobutanoic acid)-3-methylbutanamido)-4-oxo-7-phenylheptanoic acid |
| Canonical SMILES | CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCCc1ccccc1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.0 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 9.6 | IC50 | ChEMBL;BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 9.3 | IC50 | ChEMBL;BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 9.1 | IC50 | ChEMBL;BindingDB |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 8.0 | IC50 | ChEMBL;BindingDB |