Molecule Details
| InChIKey | KMLHPTCEMLILLL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol |
| Canonical SMILES | COc1ccc(S(=O)(=O)C(CCS)Cc2ccccc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.55 |
| 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 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.0 | pIC50 | TTD_MultiTarget |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.2 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.0 | pIC50 | TTD_MultiTarget |