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

General Information of Drug (ID: DR0702)
Drug Name
Flosequinan
Synonyms
FLOSEQUINAN; Flosequinan (USAN/INN); Flosequinan [USAN:BAN:INN]; Flosequinan [USAN:INN:BAN]; Flosequinanum; Flosequinanum [Latin]; Manoplax; (+-)-7-Fluoro-1-methyl-3-(methylsulfinyl)-4(1H)-quinolinone; (R)-(+)-Flosequinan; (S)-(?)-Flosequinan; 4(1H)-Quinolinone, 7-fluoro-1-methyl-3-(methylsulfinyl)-; 6NB119DLU7; 7-Fluoro-1-methyl-3-(methylsulfinyl)-4(1H)-quinolone; 7-Fluoro-1-methyl-3-(methylsulfinyl)quinolin-4(1H)-one; 76568-02-0; AC1NBUQ7; BRN 5815383; BTS 49465; BTS-49465; C11H10FNO2S; NCGC00183849-01; UNII-6NB119DLU7
Indication Congestive heart failure [ICD11: BD10] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 239.27 Topological Polar Surface Area 56.6
Heavy Atom Count 16 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
4474062
ChEBI ID
CHEBI:134972
CAS Number
76568-02-0
TTD Drug ID
D0MP1C
Formula
C11H10FNO2S
Canonical SMILES
CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)C
InChI
1S/C11H10FNO2S/c1-13-6-10(16(2)15)11(14)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKey
UYGONJYYUKVHDD-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
Flosequinan sulphone DM014796 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006315 Flosequinan Flosequinan sulphone Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002104)
2 Cytochrome P450 responsible for the stereoselective S-oxidation of flosequinan in hepatic microsomes from rats and humans. Drug Metab Dispos. 1997 Jun;25(6):716-24.
3 Conversion of flosequinan to the sulphone metabolite in subcellular fractions of human liver, in-vitro

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