Details of the Drug

General Information of Drug (ID: DMY89KQ)

Drug Name
Flosequinan
Synonyms Manoplax; BTS-49465; BTS-53554
Indication
Disease Entry ICD 11 Status REF
Cardiovascular disease BA00-BE2Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 239.27
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C11H10FNO2S
IUPAC Name
7-fluoro-1-methyl-3-methylsulfinylquinolin-4-one
Canonical SMILES
CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)C
InChI
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
Cross-matching ID
PubChem CID
4474062
ChEBI ID
CHEBI:134972
CAS Number
76568-02-0
DrugBank ID
DB13228
TTD ID
D0MP1C
INTEDE ID
DR0702

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.