Molecule Details
| InChIKey | HECFJRXDSZZJLW-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(4-((4-(4-fluorophenyl)piperazin-1-ylsulfonyl)methyl)-1-methylpiperidin-4-yl)-N-hydroxyformamide |
| Canonical SMILES | CN1CCC(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)(N(O)C=O)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.25 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75173 | ADAMTS4 | Homo sapiens | Human | PF17771 PF19236 PF05986 PF01421 PF00090 | 6.3 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.2 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.2 | pIC50 | TTD_MultiTarget |