FLUOXYMESTERONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: G03BA01
UNII: 9JU12S4YFY

Structure
InChI Key YLRFCQOZQXIBAB-RBZZARIASA-N
Smile C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29FO3
Molecular Weight 336.45
AlogP 3.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 57.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Androgen Receptor agonist DailyMed Wikipedia
Primary Target
Androgen receptor
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 C Nuclear hormone receptor subfamily 3 group C member 4
0 - - 6 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
31.58
Investigations
21.05
Cardiac disorders
15.79
Metabolism and nutrition disorders
15.79
Renal and urinary disorders
15.79

Cross References

Resources Reference
CAS NUMBER 76-43-7
ChEBI 5120
ChEMBL CHEMBL1445
DrugBank DB01185
DrugCentral 1210
EPA CompTox DTXSID8033512
FDA SRS 9JU12S4YFY
Human Metabolome Database HMDB0015316
Guide to Pharmacology 2861
KEGG C15643
PDB DEX
PharmGKB PA164744518
PubChem 6446
SureChEMBL SCHEMBL5096
ZINC ZINC000003875484
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