Molecule Details
| InChIKey | SWRNCXLTVBBIMK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Benzylsulfanyl-2-[{[(di-pyridin-2-yl-methyl)-carbamoyl]-methyl}-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-butyramide |
| Canonical SMILES | COc1ccc(S(=O)(=O)N(CC(=O)NC(c2ccccn2)c2ccccn2)C(CCSCc2ccccc2)C(=O)NO)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.95 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.7 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 9.4 | pIC50 | TTD_MultiTarget |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | IC50 | ChEMBL;BindingDB |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.4 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.4 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.4 | pIC50 | TTD_MultiTarget |