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
Structure
3D MOL 2D MOL
#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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.