Details of the Drug

General Information of Drug (ID: DMXHPV0)

• Drug Name: NSC-660841

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); 410.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H26N4O4
  IUPAC Name: 10-[2-(diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-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=CC(=C(C(=O)C4=C2O)OC)OC
  InChI: InChI=1S/C22H26N4O4/c1-5-25(6-2)10-9-23-13-7-8-14-19-17(13)20(27)18-15(26(19)12-24-14)11-16(29-3)22(30-4)21(18)28/h7-8,11-12,23,27H,5-6,9-10H2,1-4H3
  InChIKey: GRQHDQZNSRJNRZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 378422
  TTD ID: D01JID

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.