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
PubChem Substance ID
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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