Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5443)
Drug Name
Hydroxyflutamide
Synonyms
HFT; Hydroxyniphtholide; PC1193; Sch 16423; Hydroxy-flutamide; OH-flutamide; Sch-16423; Alpha, alpha, alpha-trifluoro-2-methyl-4'-nitro-m-lactotoluidide; Alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide; 2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide; 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Indication Prostate cancer [ICD11: 2C82] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 292.21 Topological Polar Surface Area 95.2
Heavy Atom Count 20 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
91649
CAS Number
52806-53-8
TTD Drug ID
D0BC2E
Formula
C11H11F3N2O4
Canonical SMILES
CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O
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)
InChIKey
YPQLFJODEKMJEF-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Flutamide Metabolite M3 DM004696
94955
Unclear - Unclear 1 [2]
Flutamide Metabolite M7 DM004701
72355881
Unclear - Unclear 1 [2]
Hydroxyflutamide glucuronide DM016913 N. A. Unclear - Unclear 1 [2]
Flutamide Metabolite M3 DM004696
94955
Unclear - Unclear 2 [2]
Hydroxyflutamide metabolite M1 glucuronide DM016912 N. A. Unclear - Unclear 2 [2]
Hydroxyflutamide metabolite M3 DM016911 N. A. Unclear - Unclear 2 [2]
Hydroxyflutamide metabolite Flu-3 DM016908 N. A. Unclear - Unclear 3 [2]
Hydroxyflutamide metabolite Flu-3 glucuronide DM016909 N. A. Unclear - Unclear 4 [2]
Hydroxyflutamide metabolite Flu-3 sulphate DM016910 N. A. Unclear - Unclear 4 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007729 Hydroxyflutamide Hydroxyflutamide metabolite M1 Unclear - Unclear Unclear [2]
MR007734 Hydroxyflutamide Hydroxyflutamide metabolite Flu-1 Unclear - Unclear Unclear [2]
MR007737 Hydroxyflutamide Hydroxyflutamide glucuronide Unclear - Unclear Unclear [2]
MR007730 Hydroxyflutamide metabolite M1 Hydroxyflutamide metabolite Flu-1 Unclear - Unclear Unclear [2]
MR007735 Hydroxyflutamide metabolite M1 Hydroxyflutamide metabolite M3 Unclear - Unclear Unclear [2]
MR007736 Hydroxyflutamide metabolite M1 Hydroxyflutamide metabolite M1 glucuronide Unclear - Unclear Unclear [2]
MR014049 Hydroxyflutamide metabolite Flu-1 Hydroxyflutamide metabolite Flu-3 Unclear - Unclear Unclear [2]
MR007733 Hydroxyflutamide metabolite Flu-3 Hydroxyflutamide metabolite Flu-3 sulphate Unclear - Unclear Unclear [2]
MR014050 Hydroxyflutamide metabolite Flu-3 Hydroxyflutamide metabolite Flu-3 glucuronide Unclear - Unclear Unclear [2]
⏷ Show the Full List of 9 MR(s)
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2862).
2 Flutamide metabolism in four different species in vitro and identification of flutamide metabolites in human patient urine by high performance liquid chromatography/tandem mass spectrometry

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