Molecule Details
| InChIKey | XUDODBAIOYVRJQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(4-Phenylsulfanyl-benzenesulfonyl)-cyclohexanethiol |
| Canonical SMILES | O=S(=O)(c1ccc(Sc2ccccc2)cc1)C1CCCC(S)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 9.4 | IC50 | ChEMBL;BindingDB |
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.3 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 9.4 | pIC50 | TTD_MultiTarget |