Molecule Details
| InChIKey | QGVCPEQAAKTMNX-SECBINFHSA-N |
|---|---|
| Compound Name | (R)-3-(4-Methoxy-benzenesulfonyl)-2-methyl-propane-1-thiol |
| Canonical SMILES | COc1ccc(S(=O)(=O)C[C@H](C)CS)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.32 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | Clinical | TTD_MultiTarget | TTD_MultiTarget |