Molecule Details
| InChIKey | YWZDVYPIFZUSBG-FHPVIJFVSA-N |
|---|---|
| Compound Name | (2R)-N-[(2S)-1-(benzhydrylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide |
| Canonical SMILES | CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccc(-c2ccccc2)cc1)CC(=O)NO)C(=O)NC(c1ccccc1)c1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.1 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.5 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.5 | pIC50 | TTD_MultiTarget |