| Drug General Information |
| Drug ID |
D0B5YS
|
| Former ID |
DNC006146
|
| Drug Name |
VANILLIN
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| 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 |
|
| 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 |
[2]
|
|---|
| Succinate semialdehyde dehydrogenase, mitochondrial |
Target Info |
Inhibitor |
[2]
|
|
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 1 | (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 2 | Bioorg Med Chem Lett. 2006 Feb;16(3):592-5. Epub 2005 Nov 14.Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives. |
|---|
