Drug Information

Drug General Information
Drug ID
D0B5YS
Former ID
DNC006146
Drug Name
VANILLIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541551]
Structure
Download
2D MOL

3D MOL
Formula
C8H8O3
InChI
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIKey
MWOOGOJBHIARFG-UHFFFAOYSA-N
PubChem Compound ID
1183
PubChem Substance ID
3281, 4017, 79257, 100930, 474022, 587823, 607367, 2467553, 3134857, 4339309, 7847159, 8143801, 8151015, 10505673, 11405480, 11528283, 11528509, 14709529, 15219260, 16956663, 17389583, 24430806, 24715056, 24890051, 24890052, 24900708, 24900731, 24901469, 24901470, 26512239, 26753082, 29204664, 36527317, 48415161, 48417374, 48420488, 48421924, 48424279, 48425731, 49743000, 50105631, 51060675, 53787935, 57320801, 57654724, 57841336, 85090369, 87570691, 87577869, 87643260
Target and Pathway
Target(s) 4-aminobutyrate aminotransferase, mitochondrial Target Info Inhibitor [527869]
Succinate semialdehyde dehydrogenase, mitochondrial Target Info Inhibitor [527869]
BioCyc Pathway GABA shunt
Valine degradation
Beta-alanine degradation
4-aminobutyrate degradationGLUDEG-I-PWY:GABA shunt
4-aminobutyrate degradation
KEGG Pathway Alanine, aspartate and glutamate metabolism
Valine, leucine and isoleucine degradation
beta-Alanine metabolism
Propanoate metabolism
Butanoate metabolism
Metabolic pathways
GABAergic synapsehsa00250:Alanine, aspartate and glutamate metabolism
PANTHER Pathway Aminobutyrate degradation
Pyrimidine Metabolism
Gamma-aminobutyric acid synthesisP02726:Aminobutyrate degradation
Gamma-aminobutyric acid synthesis
PathWhiz Pathway Aspartate Metabolism
Glutamate Metabolism
Beta-Alanine Metabolism
Valine, Leucine and Isoleucine Degradation
Propanoate MetabolismPW000003:Glutamate Metabolism
WikiPathways GABA synthesis, release, reuptake and degradation
Alanine and aspartate metabolismWP2685:GABA synthesis, release, reuptake and degradation
References
Ref 541551(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6412).
Ref 527869Bioorg Med Chem Lett. 2006 Feb;16(3):592-5. Epub 2005 Nov 14.Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives.

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