Details of the Drug

General Information of Drug (ID: DMXT1EK)

• Drug Name: NSC-356819

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); 344.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H16N6O
  IUPAC Name: 4-[(2-hydroxy-5-phenyldiazenylphenyl)diazenyl]benzenecarboximidamide
  Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)O)N=NC3=CC=C(C=C3)C(=N)N
  InChI: InChI=1S/C19H16N6O/c20-19(21)13-6-8-15(9-7-13)23-25-17-12-16(10-11-18(17)26)24-22-14-4-2-1-3-5-14/h1-12,26H,(H3,20,21)
  InChIKey: NKLDVTYKPPGNGG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 434764
  TTD ID: D0WW2D

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] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.