LASOFOXIFENE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G03XC03
UNII: 337G83N988

Structure
InChI Key GXESHMAMLJKROZ-IAPPQJPRSA-N
Smile Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
InChI
InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H31NO2
Molecular Weight 413.56
AlogP 5.73
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 32.7
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor modulator Other
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
- 1-4 - - 26-74
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
- 2-24 - - 26-74

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 3 D010024 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 180916-16-9
ChEBI 135938
ChEMBL CHEMBL328190
DrugBank DB06202
EPA CompTox DTXSID50171037
FDA SRS 337G83N988
Guide to Pharmacology 7542
PDB C3D
PubChem 216416
SureChEMBL SCHEMBL26815
ZINC ZINC000003918428
CONTENTS