Drug Information

Drug General Information
Drug ID
D0RF2M
Former ID
DNC005811
Drug Name
NIPECOTIC ACID
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467801]
Structure
Download
2D MOL

3D MOL
Formula
C6H11NO2
InChI
InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)
InChIKey
XJLSEXAGTJCILF-UHFFFAOYSA-N
CAS Number
CAS 498-95-3
PubChem Compound ID
4498
PubChem Substance ID
3138351, 7404102, 8139863, 8150178, 8152771, 11335323, 11360562, 11363247, 11365809, 11368371, 11372643, 11373796, 11376533, 11461534, 11466978, 11468098, 11484963, 11486815, 11489000, 11491527, 11491984, 11494167, 15170656, 17404605, 24278161, 26613203, 26679237, 26747103, 29223592, 35033299, 47213193, 47216644, 47440115, 47440116, 47736328, 47810612, 47810613, 47885272, 48034968, 48110317, 48184862, 49698820, 49833219, 50015592, 50104354, 50104355, 50104356, 50396592, 53777147, 57322300
Target and Pathway
Target(s) Sodium- and chloride-dependent GABA transporter 1 Target Info Inhibitor [533538]
GABA transporter-3 Target Info Inhibitor [533538]
4-aminobutyrate aminotransferase, mitochondrial Target Info Inhibitor [533540]
Adenosine A3 receptor Target Info Inhibitor [527823]
Gamma-aminobutyric acid receptor Target Info Inhibitor [533396]
BioCyc Pathway GABA shunt
Valine degradation
Beta-alanine degradation
4-aminobutyrate degradation
KEGG Pathway GABAergic synapsehsa00250:Alanine, aspartate and glutamate metabolism
Valine, leucine and isoleucine degradation
beta-Alanine metabolism
Propanoate metabolism
Butanoate metabolism
Metabolic pathways
GABAergic synapse
PANTHER Pathway Aminobutyrate degradation
Pyrimidine Metabolism
Gamma-aminobutyric acid synthesis
PathWhiz Pathway Aspartate Metabolism
Glutamate Metabolism
Beta-Alanine Metabolism
Valine, Leucine and Isoleucine Degradation
Propanoate Metabolism
Reactome Na+/Cl- dependent neurotransmitter transportersR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Monoamine Transport
NRF2 pathwayWP2685:GABA synthesis, release, reuptake and degradation
Alanine and aspartate metabolismWP80:Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, Other
References
Ref 467801(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: 4564).
Ref 527823J Med Chem. 2005 Nov 3;48(22):6887-96.2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacological characterization.
Ref 533396J Med Chem. 1985 May;28(5):653-60.Orally active and potent inhibitors of gamma-aminobutyric acid uptake.
Ref 533538J Med Chem. 1981 Jul;24(7):788-94.Epimeric cis-decahydroquinoline-5-carboxylic acids: effects on gamma-aminobutyric acid uptake and receptor binding in vitro.
Ref 533540J Med Chem. 1982 Feb;25(2):113-6.Aminomethyl-1,2,4-benzothiadiazines as potential analogues of gamma-aminobutyric acid. Unexpected discovery of a taurine antagonist.

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