Molecule Details
| InChIKey | BVQJLICESKJIJB-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-hydroxy-N-[1-(4-hydroxyiminocyclohexyl)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]formamide |
| Canonical SMILES | Cc1cc(COc2ccc(S(=O)(=O)CC(CC3CCC(=NO)CC3)N(O)C=O)cc2)c2ccccc2n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.76 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78536 | ADAM17 | Homo sapiens | Human | PF16698 PF00200 PF13574 | 8.5 | IC50 | ChEMBL |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 6.3 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.3 | pIC50 | TTD_MultiTarget |