BAZEDOXIFENE

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Synonyms
Status
Molecule Category Free-form
ATC G03XC02
UNII Q16TT9C5BK
EPA CompTox DTXSID70173593

Structure

InChI Key UCJGJABZCDBEDK-UHFFFAOYSA-N
Smiles 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

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
- 0.6-23 - - -
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
- 3.8-85 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.4-85 - - -

Related Entries

Cross References

Resources Reference
ChEBI 135947
ChEMBL CHEMBL46740
DrugBank DB06401
DrugCentral 4334
FDA SRS Q16TT9C5BK
Guide to Pharmacology 7355
PDB 29S
PubChem 154257
SureChEMBL SCHEMBL41935
ZINC ZINC000001895505
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