Molecule Details
| InChIKey | YPVHLSJXDPMUQA-FXWAWSABSA-N |
|---|---|
| Compound Name | (E,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenylacetyl]amino]-3-methylbutanoyl]amino]-6-ethoxy-6-oxohex-4-enoic acid |
| Canonical SMILES | CCOC(=O)/C=C/[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.5 | IC50 | ChEMBL;BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 6.8 | IC50 | ChEMBL;BindingDB |
| P49662 | CASP4 | Homo sapiens | Human | PF00619 PF00656 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q92851 | CASP10 | Homo sapiens | Human | PF01335 PF00656 | 6.2 | IC50 | ChEMBL;BindingDB |
| P55211 | CASP9 | Homo sapiens | Human | PF00619 PF00656 | 6.0 | IC50 | ChEMBL;BindingDB |