Molecule Details
| InChIKey | JCPGSSZRKQLWNX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 11-[4-(1-Hydroxy-3-piperidin-1-ylpropyl)phenyl]-6,11-dihydronaphtho[3,2-b][1]benzothiole-3,8-diol |
| Canonical SMILES | Oc1ccc2c(c1)Cc1sc3cc(O)ccc3c1C2c1ccc(C(O)CCN2CCCCC2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.82 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 9.4 | pIC50 | TTD_MultiTarget |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.2 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 9.4 | pIC50 | TTD_MultiTarget |