Drug Information

Drug General Information
Drug ID
D0K8ZZ
Former ID
DIB018354
Drug Name
[3H]NECA
Synonyms
[3H]adenosine-5'-(N-ethylcarboxamide)
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467583]
Structure
Download
2D MOL

3D MOL
Formula
C12H16N6O4
InChI
InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
InChIKey
JADDQZYHOWSFJD-FLNNQWSLSA-N
PubChem Compound ID
448222
PubChem Substance ID
831348, 833152, 6436257, 7889349, 7980100, 10300190, 11532956, 12012601, 14849888, 24263019, 26752231, 26752232, 36890147, 46393043, 49689293, 50104936, 53789671, 56463209, 71826089, 74667278, 90341085, 103601612, 104639154, 121360337, 124801005, 128245462, 134340785, 135061485, 135650706, 135651187, 135697884, 162169163, 162226946, 164841257, 170481837, 179350351, 224274871, 241375582, 242081484, 249617374, 252156038, 252342800, 252420421
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Agonist [526188]
Adenosine A2b receptor Target Info Agonist [534553]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Alcoholism
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling Pathway
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 467583(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: 425).
Ref 526188Inhibition of human mast cell activation with the novel selective adenosine A(2B) receptor antagonist 3-isobutyl-8-pyrrolidinoxanthine (IPDX)(2). Biochem Pharmacol. 2001 Nov 1;62(9):1163-73.
Ref 534553Comparative pharmacology of human adenosine receptor subtypes - characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 1998 Jan;357(1):1-9.

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