Molecule Details
| InChIKey | BOXSOXSFZRZIAF-ZBAATNBSSA-N |
|---|---|
| Compound Name | (4-Benzyl-benzyl)-[4-(4-bromo-phenyl)-2-((S)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-butyl]-phosphinic acid |
| Canonical SMILES | CNC(=O)[C@@H](NC(=O)C(CCc1ccc(Br)cc1)CP(=O)(O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.03 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.0 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.0 | pIC50 | TTD_MultiTarget |