bazedoxifene   Click here for help

GtoPdb Ligand ID: 7355

Synonyms: Conbriza® | TSE-424 | Viviant® | WAY-140424
Approved drug PDB Ligand
bazedoxifene is an approved drug (EMA (2009), FDA (2013))
Compound class: Synthetic organic
Comment: Bazedoxifene is a selective estrogen receptor modulator (SERM).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 57.86
Molecular weight 470.26
XLogP 6.5
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O
Isomeric SMILES Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O
InChI InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3
InChI Key UCJGJABZCDBEDK-UHFFFAOYSA-N
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Estrogen receptor-α Primary target of this compound Hs Antagonist Antagonist 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.3x10-8 M) [1]
Estrogen receptor-β Primary target of this compound Hs Antagonist Antagonist 7.1 pIC50 - 1
pIC50 7.1 (IC50 8.5x10-8 M) [1]