Details of the Drug

General Information of Drug (ID: DMZIOJS)

• Drug Name: 3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
• Synonyms: CHEMBL206465; 3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine

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); 348.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H24N4O
  IUPAC Name: 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
  Canonical SMILES: C1COCCN1CCNC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4
  InChI: InChI=1S/C21H24N4O/c1-2-6-17(7-3-1)16-20-21(22-10-11-25-12-14-26-15-13-25)24-19-9-5-4-8-18(19)23-20/h1-9H,10-16H2,(H,22,24)
  InChIKey: JEKWAIMSNCODJF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11624425
  TTD ID: D0KW6V

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.