HYDROXYFLUTAMIDE

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Synonyms
Status
Molecule Category Free-form
UNII 31D90UKP5Y
EPA CompTox DTXSID8033562

Structure

InChI Key YPQLFJODEKMJEF-UHFFFAOYSA-N
Smiles CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChI
InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11F3N2O4
Molecular Weight 292.21
AlogP 2.32
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 92.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 8.2
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
- 15-370 - 2-430 60-94.8
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetinae
- - - 50.12 -
Homo sapiens
- 26-350 - 2-430 8.2-94.8
Mus musculus
100 52-370 - - 0.8-100

Cross References

Resources Reference
ChEMBL CHEMBL491
FDA SRS 31D90UKP5Y
Human Metabolome Database HMDB0060949
Guide to Pharmacology 2862
KEGG C14204
PDB HFT
SureChEMBL SCHEMBL3079778
ZINC ZINC000004655055
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