Details of the Drug

General Information of Drug (ID: DM0U7CK)

• Drug Name: NSC-637992
• Synonyms: CCRIS 7539; UNII-3S0283Z6W9; C 1310; NSC-637992; CHEMBL125082; 3S0283Z6W9; 138154-40-2; 5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-1-methyl-6H-imidazo(4,5,1-de)acidin-6-one; 6H-Imidazo(4,5,1-de)acridin-6-one, 5-((2-(diethylamino)ethyl)amino)-8-hydroxy-1-methyl-; AC1L30G5; SCHEMBL13526631; DTXSID70160509; ZINC3825293; BDBM50008344; NCI60_012641; LS-183332; 5-(2-(diethylamino)ethylamino)-8-hydroxy-1-methyl-6H-imidazo[4,5,1-de]acridin-6-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); 364.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H24N4O2
  IUPAC Name: 10-[2-(diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
  Canonical SMILES: CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C
  InChI: InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3
  InChIKey: CAHBHXJBZIGLGG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 132128
  CAS Number: 138154-40-2
  TTD ID: D0O6NU
  VARIDT ID: DR01477

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] Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.