FLUOXYMESTERONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G03BA01
UNII 9JU12S4YFY
EPA CompTox DTXSID8033512

Structure

InChI Key YLRFCQOZQXIBAB-RBZZARIASA-N
Smiles 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
Polar Surface Area 57.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor agonist AGONIST DailyMed Wikipedia
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
0.3 - - 5.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.3 - - 5.7 -

Target Conservation

Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083

Related Entries

Cross References

Resources Reference
ChEBI 5120
ChEMBL CHEMBL1445
DrugBank DB01185
DrugCentral 1210
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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