Details of the Drug

General Information of Drug (ID: DMSO215)

• Drug Name: NSC-645831
• Synonyms: NSC-645831; CHEMBL1095188; 5-{[2-(diethylamino)ethyl]amino}-6H-imidazo[4,5,1-de]acridin-6-one; NCI60_015720; AC1Q6JEH; AC1L832R; SCHEMBL13526727; CTK6E8378; BDBM50317132

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); 334.4
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H22N4O
  IUPAC Name: 10-[2-(diethylamino)ethylamino]-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=CC=CC=C4C2=O
  InChI: InChI=1S/C20H22N4O/c1-3-23(4-2)12-11-21-15-9-10-16-19-18(15)20(25)14-7-5-6-8-17(14)24(19)13-22-16/h5-10,13,21H,3-4,11-12H2,1-2H3
  InChIKey: MKCGFGOLLOOXDP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 371512
  TTD ID: D05GDD

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.