Details of the Drug

General Information of Drug (ID: DMJ3ATL)

Drug Name
2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE
Synonyms
HQNO; HOQNO; 2-heptyl-4-hydroxyquinoline n-oxide; 341-88-8; 2-heptylquinolin-4-ol 1-oxide; 2-Heptyl-4-quinolinol 1-oxide; 2-HEPTYL-4-HYDROXYQUINOLINE-1-OXIDE; 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE; 2-(n-Heptyl)-4-hydroxyquinoline N-oxide; CHEBI:28362; 2-Heptyl-4-hydroxyquinoline-N-oxide; 2-n-heptyl-4-hydroxyquinoline-N-oxide; 2-HEPTYL-1-OXY-QUINOLIN-4-OL; Pyo II; UNII-1FU5S5CG6A; 2-Heptyl-4-hydroxyquinoline oxide; KF 8940; BRN 1466419; AC1L1BQL; 1FU5S5CG6A; SCHEMBL429766; CHEMBL1233401; 1-hydroxy-2-heptyl-4-quinolone; CTK4H1880
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 259.339
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H21NO2
IUPAC Name
2-heptyl-1-hydroxyquinolin-4-one
Canonical SMILES
CCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
InChI
InChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,19H,2-6,9H2,1H3
InChIKey
ICTVCUOZYWNYHM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1561
ChEBI ID
CHEMBL28362
CAS Number
341-88-8
UNII
1FU5S5CG6A
DrugBank ID
DB07918
TTD ID
D0BW1H

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fumarate reductase flavoprotein (Bact frdA) TTHDSE2 FRDA_HELPY Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.