Details of the Drug

General Information of Drug (ID: DMRT13B)

• Drug Name: 1,4-Dimethylquinolin-2(1H)-one
• Synonyms: 1,4-dimethylquinolin-2(1h)-one; 2584-47-6; 2(1H)-Quinolinone, 1,4-dimethyl-; 1,4-Dimethyl-2(1H)-quinolinone; 1,4-dimethyl-1,2-dihydroquinolin-2-one; UNII-6WT6AG3ZQJ; 6WT6AG3ZQJ; 1,4-dimethyl-2-quinolone; 1,4-dimethylquinolin-2-one; ST019653; Q-101237; 2(1H)-quinolinone,1,4-dimethyl-; NSC108420; NSC 108420; 1,4-DIMETHYL-2(1H)-QUINOLONE; casimiroin analogue, 1d; 1,4-dimethylcarbostyril; 4-methyl-n-methylquinolone; AC1Q6I1L; AC1L3Y4F; KSC497K0B; MLS000764269; CHEMBL60376; SCHEMBL436564; ZINC32147; CTK3J7500; BDBM29215

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); 173.21
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C11H11NO
  IUPAC Name: 1,4-dimethylquinolin-2-one
  Canonical SMILES: CC1=CC(=O)N(C2=CC=CC=C12)C
  InChI: InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
  InChIKey: CEONKCOBRZOYJS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 97252
  CAS Number: 2584-47-6
  TTD ID: D04LWL

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.