Drug Information

Drug General Information
Drug ID
D0W1XA
Former ID
DNC003580
Drug Name
NECA
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540512]
Structure
Download
2D 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 Inhibitor [525473]
Adenosine A2a receptor Target Info Inhibitor [533449]
Adenosine A2b receptor Target Info Inhibitor [533449]
Adenosine A1 receptor Target Info Inhibitor [533449]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04015:Rap1 signaling pathway
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Pathway Interaction Database HIF-2-alpha transcription factor networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and AdenosinePW000446:Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-187024:NGF-independant TRKA activation
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
GPCR downstream signalingWP80:Nucleotide GPCRs
References
Ref 540512(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: 377).
Ref 525473J Med Chem. 1999 Apr 22;42(8):1384-92.5'-N-substituted carboxamidoadenosines as agonists for adenosine receptors.
Ref 533449J Med Chem. 1988 Jun;31(6):1179-83.Adenosine receptor agonists: synthesis and biological evaluation of 1-deaza analogues of adenosine derivatives.

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