Details of the Drug

General Information of Drug (ID: DMJ1IRO)

• Drug Name: 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
• Synonyms: 5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one; 5,8-dimethoxy-1,4-dimethylquinolin-2-one; 131451-78-0; BAS 13027560; casimiroin analogue, 1l; AC1LT9OM; 5,8-Dimethoxy-1,4-dimethyl-1H-quinolin-2-one; CHEMBL490867; BDBM29223; MolPort-002-024-473; FTGZPMFPUDKJBX-UHFFFAOYSA-N; HMS3604K14; ZINC1423886; STK736911; AKOS000643970; DB08228; MCULE-6770591553; ST4106238; 5,8-dimethoxy-1,4-dimethylhydroquinolin-2-one; 5,8-dimethoxy-1,4-dimethyl-2(1H)-quinolinone; 1,4-Dimethyl-5,8-dimethoxyquinolin-2(1H)-one; 1H-Quinolin-2-one, 5,8-dimethoxy-1

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 233.26
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H15NO3
  IUPAC Name: 5,8-dimethoxy-1,4-dimethylquinolin-2-one
  Canonical SMILES: CC1=CC(=O)N(C2=C(C=CC(=C12)OC)OC)C
  InChI: InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3
  InChIKey: FTGZPMFPUDKJBX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1504717
  DrugBank ID: DB08228
  TTD ID: D0C8KC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

References

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