BAZEDOXIFENE

Search structure
Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G03XC02
UNII: Q16TT9C5BK

Structure
InChI Key UCJGJABZCDBEDK-UHFFFAOYSA-N
Smile Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34N2O3
Molecular Weight 470.61
AlogP 6.33
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 57.86
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Primary Target
Estrogen receptor-α
Estrogen receptor-β
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- 1-31710 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- 4-85 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 3 D010024 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Endometrial Hyperplasia 3 D004714 ClinicalTrials
Osteoporosis, Postmenopausal 2 D015663 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 2 D002285 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 198481-32-2
ChEBI 135947
ChEMBL CHEMBL46740
DrugBank DB06401
DrugCentral 4334
EPA CompTox DTXSID70173593
FDA SRS Q16TT9C5BK
Guide to Pharmacology 7355
PDB 29S
PubChem 154257
SureChEMBL SCHEMBL41935
ZINC ZINC000001895505
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