Molecule Details
| InChIKey | MESQXIKYNYUZRV-UHFFFAOYSA-N |
|---|---|
| Compound Name | rac-N-(1-(4-(4-fluorophenyl)piperazin-1-ylsulfonyl)propan-2-yl)-N-hydroxyformamide |
| Canonical SMILES | CC(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O |
| 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 |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.8 | IC50 | ChEMBL;BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 6.8 | pIC50 | TTD_MultiTarget |