Details of the Drug

General Information of Drug (ID: DMHUG1W)

• Drug Name: NSC-359466

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); 409.4
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H19N5O2
  IUPAC Name: 4-[(4-carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
  Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=N)N
  InChI: InChI=1S/C24H19N5O2/c25-23(26)15-10-12-18(13-11-15)28-29-21-19-9-5-4-6-16(19)14-20(22(21)30)24(31)27-17-7-2-1-3-8-17/h1-14,30H,(H3,25,26)(H,27,31)
  InChIKey: XLJUNSXIULBDTE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 434864
  TTD ID: D0Z9MG

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.