Molecule Details
| InChIKey | MCUUTMPQGFSADF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-aminoacetyl)-1-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-1,4-diazepane-2-carboxamide |
| Canonical SMILES | CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)CN)CC2C(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.92 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | Clinical | TTD_MultiTarget | TTD_MultiTarget |