Details of the Drug

General Information of Drug (ID: DMTY41F)

• Drug Name: 1-(3-benzyl-6,7-dichloroquinoxalin-2-yl)hydrazine
• Synonyms: CHEMBL382886; 1-(3-benzyl-6,7-dichloroquinoxalin-2-yl)hydrazine

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); 319.2
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H12Cl2N4
  IUPAC Name: (3-benzyl-6,7-dichloroquinoxalin-2-yl)hydrazine
  Canonical SMILES: C1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3N=C2NN)Cl)Cl
  InChI: InChI=1S/C15H12Cl2N4/c16-10-7-12-13(8-11(10)17)20-15(21-18)14(19-12)6-9-4-2-1-3-5-9/h1-5,7-8H,6,18H2,(H,20,21)
  InChIKey: UMCSOEDKYUEPEK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44409446
  TTD ID: D0WI3V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_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
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Synthesis of 3-benzyl-2-substituted quinoxalines as novel monoamine oxidase A inhibitors. Bioorg Med Chem Lett. 2006 Mar 15;16(6):1753-6.