Details of the Drug

General Information of Drug (ID: DMV2D8F)

• Drug Name: NSC-275420
• Synonyms: CHEMBL220048; NSC-275420; AC1L8512; ZINC5579959; NSC275425; BDBM50195857; NSC-275425

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); 315.3
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H13N3O2
  IUPAC Name: 7-hydroxy-8-methyl-5H-indolo[3,2-a]phenazin-10-one
  Canonical SMILES: CN1C2=CC(=O)C=CC2=C3C1=C(C=C4C3=NC5=CC=CC=C5N4)O
  InChI: InChI=1S/C19H13N3O2/c1-22-15-8-10(23)6-7-11(15)17-18-14(9-16(24)19(17)22)20-12-4-2-3-5-13(12)21-18/h2-9,20,24H,1H3
  InChIKey: ZWIWQBZCWUMNMU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 321796
  TTD ID: D0E2LU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Quinone reductase 1 (NQO1)	TT8XK6L	NQO1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Quinone reductase 1 (NQO1)	DTT	NQO1	2.05E-04	0.89	2.67

References

• [1] In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54.