Details of the Drug

General Information of Drug (ID: DMB5PLD)

• Drug Name: NSC-660840

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); 380.4
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H24N4O3
  IUPAC Name: 10-[2-(diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one
  Canonical SMILES: CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=O)C4=C2O)OC
  InChI: InChI=1S/C21H24N4O3/c1-4-24(5-2)11-10-22-13-6-7-14-19-17(13)21(27)18-15(26)8-9-16(28-3)20(18)25(19)12-23-14/h6-9,12,22,27H,4-5,10-11H2,1-3H3
  InChIKey: CCUYKRLXKTWTGP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 378421
  TTD ID: D08NWU

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.