Molecule Details
| InChIKey | VRQPNJFSKYEBCN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(pyridin-4-yl)piperidine-4-carboxamide |
| Canonical SMILES | CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(c3ccncc3)CC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.25 |
| 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 | 8.2 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | Clinical | TTD_MultiTarget | TTD_MultiTarget |