ARZOXIFENE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
UNII: E569WG6E60

Structure
InChI Key MCGDSOGUHLTADD-UHFFFAOYSA-N
Smile COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1
InChI
InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H29NO4S
Molecular Weight 475.61
AlogP 6.94
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 51.16
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Estrogen receptor modulator PubMed PubMed
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 22-42 - - -
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
- 66-240 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis, Postmenopausal 3 D015663 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Osteoporosis 2 D010024 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 182133-25-1
ChEMBL CHEMBL226267
DrugBank DB06249
EPA CompTox DTXSID10171255
FDA SRS E569WG6E60
PubChem 179337
SureChEMBL SCHEMBL285277
ZINC ZINC000001544683
CONTENTS