Molecule Details
| InChIKey | MCGDSOGUHLTADD-UHFFFAOYSA-N |
|---|---|
| Compound Name | Arzoxifene |
| Canonical SMILES | COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06249 |
|---|---|
| Drug Name | Arzoxifene |
| CAS Number | 182133-25-1 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | nan |
Categories: Sulfur Compounds
Cross-references: BindingDB: 19442 CHEMBL226267 ChemSpider: 156104 Wikipedia: Arzoxifene ZINC: ZINC000001544683
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 7.2 | pIC50 | TTD_MultiTarget |