Details of the Drug

General Information of Drug (ID: DMQWR69)

• Drug Name: 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE
• Synonyms: QNO; AC1O4QJA

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 287.4
  Logarithm of the Partition Coefficient (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H25NO2
  IUPAC Name: 1-hydroxy-2-nonylquinolin-4-one
  Canonical SMILES: CCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
  InChI: InChI=1S/C18H25NO2/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19(15)21/h9-10,12-14,21H,2-8,11H2,1H3
  InChIKey: JYFNTDPGDPZMCM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 130804
  CAS Number: 316-66-5
  DrugBank ID: DB08453
  TTD ID: D0X4DY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Cytochrome B (Malaria MT-CYB)	TTRAMF0	CYB_PLAFA	Inhibitor	[1]

References

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