Molecule Details
| InChIKey | MDGWZLQPNOETLH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(4-Hydroxyphenyl)benzo(b)thiophen-6-ol |
| Canonical SMILES | Oc1ccc(-c2cc3ccc(O)cc3s2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.26 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08773 |
|---|---|
| Drug Name | 2-(4-hydroxyphenyl)benzo[b]thiophen-6-ol |
| CAS Number | 63676-22-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 20628 CHEMBL431698 ChemSpider: 393408 PDB: ZTW PubChem:445920 PubChem:99445244 ZINC: ZINC000003581478
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.6 | Ki | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 8.4 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | pIC50 | TTD_MultiTarget |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.0 | pIC50 | TTD_MultiTarget |