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]
ATC Code
C01DB01: Flosequinan
C01DB: Quinolone vasodilators
C01D: VASODILATORS USED IN CARDIAC DISEASES
C01: CARDIAC THERAPY
C: CARDIOVASCULAR SYSTEM
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
CHEMBL134972
CAS Number
76568-02-0
UNII
6NB119DLU7
DrugBank ID
DB13228
TTD ID
D0MP1C
INTEDE ID
DR0702
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.