Molecule Details
| InChIKey | UCJGJABZCDBEDK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bazedoxifene |
| Canonical SMILES | Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.89 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06401 |
|---|---|
| Drug Name | Bazedoxifene |
| CAS Number | 198481-32-2 |
| Groups | approved investigational |
| ATC Codes | G03XC02 G03CC07 |
| Description | Bazedoxifene is a third generation selective estrogen receptor modulator (SERM), developed by Pfizer following the completion of their takeover of Wyeth Pharmaceuticals. In late 2013, Pfizer received approval for bazedoxifene as part of the combination drug DUAVEE in the prevention (not treatment) o... |
Categories: Bone Density Conservation Agents Estrogen Agonist/Antagonist Estrogen Receptor Modulators Genito Urinary System and Sex Hormones Heterocyclic Compounds, Fused-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Selective Estrogen Receptor Modulators Sex Hormones and Modulators of the Genital System UGT1A1 Substrates UGT1A4 substrates
Cross-references: BindingDB: 50099585 ChEBI: 135947 CHEMBL46740 ChemSpider: 135921 Drugs Product Database (DPD): 22524 D03062 PDB: 29S PubChem:154257 PubChem:310264867 RxCUI: 1441386 Wikipedia: Bazedoxifene ZINC: ZINC000001895505
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.4 | pIC50 | TTD_MultiTarget |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 8.4 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22310 | P22310 | UDP-glucuronosyltransferase 1A4 | substrate | enzymes |
| Q9HAW8 | Q9HAW8 | UDP-glucuronosyltransferase 1A10 | substrate | enzymes |
| Q9HAW9 | Q9HAW9 | UDP-glucuronosyltransferase 1A8 | substrate | enzymes |
| P03372 | ESR1 | Estrogen receptor | agonist | targets |
| P03372 | ESR1 | Estrogen receptor | antagonist | targets |
| Q92731 | ESR2 | Estrogen receptor beta | modulator | targets |