FLUOXYMESTERONE

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Search structure


Trade Names	ANDROID-F FLUOXYMESTERONE HALOTESTIN ORA-TESTRYL
Synonyms	Android-f Androxy Fluoximesterone Fluoxymesterone Fluoxymesterone ciii Halotestin NSC-10704 NSC-12165 Ora-testryl
Status
Molecule Category	Free-form
ATC	G03BA01
UNII	9JU12S4YFY
EPA CompTox	DTXSID8033512


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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
Number of Rotational Bond	0.0
Polar Surface Area	57.53
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	24.0

Bioactivity

Mechanism of Action	Action	Reference
Androgen Receptor agonist	AGONIST	DailyMed Wikipedia


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

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	-

Assay Description	Organism	Bioactivity	Reference
Agonist activity at human androgen receptor expressed in CV1 cells by transcriptional activation assay	Homo sapiens	0.3 nM
Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells	Homo sapiens	5.7 nM

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).