Details of the Drug

General Information of Drug (ID: DM8LOCA)

• Drug Name: NSC-660839
• Synonyms: NSC-660839; NSC660839; CHEMBL8150; 5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; 5-[[2-(Diethylamino)ethyl]amino]-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one; AC1Q6JKA; AC1L8DKE; CTK6E8373; ZINC5499387; BDBM50317138; NCI60_021219; (2-diethylaminoethylamino)-dimethoxy-[ ]one; 5-(2-Diethylamino-ethylamino)-7,10-dimethoxy-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); 394.5
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H26N4O3
  IUPAC Name: 10-[2-(diethylamino)ethylamino]-3,6-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one
  Canonical SMILES: CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=C4C2=O)OC)OC
  InChI: InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3
  InChIKey: GVUCPNKYHGBWCF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 378420
  TTD ID: D08NCP

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.