Molecule Details
| InChIKey | ZUERCGBCDFBAQX-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-allyl-1-(4-(4-(hydroxycarbamoyl)tetrahydro-2H-pyran-4-ylsulfonyl)phenyl)-N-methylpiperidine-4-carboxamide |
| Canonical SMILES | C=CCN(C)C(=O)C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.46 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.5 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 7.5 | pIC50 | TTD_MultiTarget |