Molecule Details
| InChIKey | ZPYLLHLHJRMHKM-RPBOFIJWSA-N |
|---|---|
| Compound Name | (R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl)-2-[(S)-1-(3-fluoro-benzylcarbamoyl)-3-methyl-butylamino]-butyric acid |
| Canonical SMILES | CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)NCc1cccc(F)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.8 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.4 | pIC50 | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.6 | pIC50 | TTD_MultiTarget |