Details of the Drug

General Information of Drug (ID: DMM36DE)

• Drug Name: 1-(3-(4-chlorobenzyl)quinoxalin-2-yl)hydrazine
• Synonyms: CHEMBL381487; 1-(3-(4-chlorobenzyl)quinoxalin-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); 284.74
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H13ClN4
  IUPAC Name: [3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]hydrazine
  Canonical SMILES: C1=CC=C2C(=C1)N=C(C(=N2)NN)CC3=CC=C(C=C3)Cl
  InChI: InChI=1S/C15H13ClN4/c16-11-7-5-10(6-8-11)9-14-15(20-17)19-13-4-2-1-3-12(13)18-14/h1-8H,9,17H2,(H,19,20)
  InChIKey: SMGDWLQUFKXCFA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44409445
  TTD ID: D0B5CR

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.