Details of the Drug

General Information of Drug (ID: DMXDNQ6)

• Drug Name: NSC-660838
• Synonyms: NSC-660838; NSC660838; CHEMBL8238; 5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one; AC1L8DKD; AC1Q6J73; CTK6E8377; BDBM50317137; NCI60_021218; (2-diethylaminoethylamino)-methoxy-[ ]one; 5-(2-Diethylamino-ethylamino)-10-methoxy-2,10b-diaza-aceanthrylen-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); 3.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H24N4O2
  IUPAC Name: 10-[2-(diethylamino)ethylamino]-3-methoxy-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=CN3C4=C(C2=O)C=CC=C4OC
  InChI: InChI=1S/C21H24N4O2/c1-4-24(5-2)12-11-22-15-9-10-16-20-18(15)21(26)14-7-6-8-17(27-3)19(14)25(20)13-23-16/h6-10,13,22H,4-5,11-12H2,1-3H3
  InChIKey: UOASRCCYMFZXGC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 378419
  TTD ID: D03SBI

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.