Details of the Drug

General Information of Drug (ID: DMJCVQN)

Drug Name
1-(3-benzylquinoxalin-2-yl)hydrazine
Synonyms
2-benzyl-3-hydrazinoquinoxaline; 223929-23-5; 2-benzyl-3-hydrazinylquinoxaline; CHEMBL379678; 1-(3-benzylquinoxalin-2-yl)hydrazine; AC1LAIMJ; benzylhydrazinoquinoxaline; SCHEMBL7628856; 3-benzyl-2-hydrazinoquinoxaline; KS-00001USU; CTK7F1811; 3-benzylquinoxaline-2-ylhydrazine; DTXSID80333186; MolPort-009-195-340; (3-benzylquinoxalin-2-yl)hydrazine; ZINC6580943; SBB100772; BDBM50179015; 7662AD; AKOS005070001; RTR-063098; RP14269; AJ-56391; TR-063098; 2R-0102
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) 250.3
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H14N4
IUPAC Name
(3-benzylquinoxalin-2-yl)hydrazine
Canonical SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2NN
InChI
InChI=1S/C15H14N4/c16-19-15-14(10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10,16H2,(H,18,19)
InChIKey
VVXTVQMXZGMAAH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
488815
CAS Number
223929-23-5
TTD ID
D0O4XF

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.