Molecule Details
| InChIKey | LDDAWLZYJRJPPR-VIHQBZHPSA-N |
|---|---|
| Compound Name | N-[(3S)-2-hydroxy-5-oxooxolan-3-yl]-4-methyl-2-[[2-(3-phenoxyanilino)acetyl]amino]pentanamide |
| Canonical SMILES | CC(C)CC(NC(=O)CNc1cccc(Oc2ccccc2)c1)C(=O)N[C@H]1CC(=O)OC1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 6.6 | IC50 | ChEMBL;BindingDB |
| P55212 | CASP6 | Homo sapiens | Human | PF00656 | 6.5 | IC50 | ChEMBL;BindingDB |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 6.2 | IC50 | ChEMBL;BindingDB |