Molecule Details
| InChIKey | DHPCBFMFERFZLR-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-bromo-6-hydroxy-2-(4-hydroxyphenyl)-1H-inden-1-one |
| Canonical SMILES | O=C1C(c2ccc(O)cc2)=C(Br)c2ccc(O)cc21 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.41 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07230 |
|---|---|
| Drug Name | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50166754 CHEMBL190467 ChemSpider: 8461931 PDB: 789 PubChem:10286462 PubChem:99443701 ZINC: ZINC000016051727
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.7 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.7 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.7 | pIC50 | TTD_MultiTarget |