Details of the Drug

General Information of Drug (ID: DM0Y52J)

• Drug Name: 8-Methoxy-1,4-dimethylquinolin-2(1H)-one
• Synonyms: 8-Methoxy-1,4-dimethylquinolin-2(1H)-one; 8-methoxy-1,4-dimethyl-1h-quinolin-2-one; 63791-96-8; casimiroin analogue, 1f; AC1NT5XU; CHEMBL506858; SCHEMBL17509827; BDBM29217; NCNFIHNRVBJRPR-UHFFFAOYSA-N; MolPort-028-745-487; ZINC33835729; 8-methoxy-1,4-dimethylquinolin-2-one; 1,4-Dimethyl-8-methoxyquinoline-2(1H)-one

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); 203.24
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H13NO2
  IUPAC Name: 8-methoxy-1,4-dimethylquinolin-2-one
  Canonical SMILES: CC1=CC(=O)N(C2=C1C=CC=C2OC)C
  InChI: InChI=1S/C12H13NO2/c1-8-7-11(14)13(2)12-9(8)5-4-6-10(12)15-3/h4-7H,1-3H3
  InChIKey: NCNFIHNRVBJRPR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5324988
  TTD ID: D0L3AJ

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] Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.