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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2009), FDA (2013))
IUPAC Name Click here for help
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
International Nonproprietary Names Click here for help
INN number INN
8168 bazedoxifene
Synonyms Click here for help
Conbriza® | TSE-424 | Viviant® | WAY-140424
Database Links Click here for help
CAS Registry No. 198481-32-2
ChEMBL Ligand CHEMBL46740
DrugCentral Ligand 4334
GtoPdb PubChem SID 178103927
PubChem CID 154257
RCSB PDB Ligand 29S
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SynPHARM 79264 (in complex with Estrogen receptor-α)
Wikipedia Bazedoxifene