Molecule Details
| InChIKey | CLKQXEGDLZQTME-JIMMVCRISA-N |
|---|---|
| Compound Name | (4R)-5-[[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-naphthalen-1-yloxy-5-oxopentanoic acid |
| Canonical SMILES | CC(C)CC(NC(=O)[C@@H](CCC(=O)O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.41 |
| 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 | 7.9 | IC50 | ChEMBL;BindingDB |
| P55212 | CASP6 | Homo sapiens | Human | PF00656 | 7.8 | IC50 | ChEMBL;BindingDB |
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.7 | IC50 | ChEMBL;BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 6.2 | IC50 | ChEMBL;BindingDB |