Molecule Details
| InChIKey | KLUBFNJJJWONQA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-((4-(but-2-ynyloxy)phenylsulfonyl)methyl)-N-hydroxy-1-(pyridin-4-ylmethylsulfonyl)piperidine-3-carboxamide |
| Canonical SMILES | CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCCN(S(=O)(=O)Cc3ccncc3)C2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| 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 | 6.0 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.0 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.0 | pIC50 | TTD_MultiTarget |