Molecule Details
| InChIKey | GGEKOZPXKBYLNK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-Hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile |
| Canonical SMILES | N#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.33 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07198 |
|---|---|
| Drug Name | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50152624 CHEMBL363498 ChemSpider: 571192 PDB: 697 PubChem:656952 PubChem:99443669 ZINC: ZINC000016051646
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.7 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 8.7 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.7 | pIC50 | TTD_MultiTarget |