Drug Information

Drug General Information
Drug ID
D0TC7N
Former ID
DIB020669
Drug Name
PENECA
Synonyms
2-phenylethynyl-NECA; 2-phenylethynylNECA
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525593]
Structure
Download
2D MOL
Formula
C20H20N6O4
InChI
InChI=1S/C20H20N6O4/c1-2-22-19(29)16-14(27)15(28)20(30-16)26-10-23-13-17(21)24-12(25-18(13)26)9-8-11-6-4-3-5-7-11/h3-7,10,14-16,20,27-28H,2H2,1H3,(H,22,29)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
InChIKey
SWXXHYTUMIMRFO-KSVNGYGVSA-N
PubChem Compound ID
9953255
PubChem Substance ID
14928677, 24223109, 46049865, 47359910, 47731260, 74472621, 103509632, 104083993, 135650805
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Agonist [526375]
Adenosine A2b receptor Target Info Agonist [526375]
Adenosine A3 receptor Target Info Agonist [526375]
KEGG Pathway cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Morphine addictionhsa04015:Rap1 signaling pathway
Calcium signaling pathway
Vascular smooth muscle contraction
Alcoholism
NetPath Pathway TCR Signaling Pathway
RANKL Signaling PathwayNetPath_7:TGF_beta_Receptor 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 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 metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signalingWP80:Nucleotide GPCRs
GPCRs, Other
References
Ref 5255932-Substituted N-ethylcarboxamidoadenosine derivatives as high-affinity agonists at human A3 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1999 Aug;360(2):103-8.
Ref 526375N(6)-alkyl-2-alkynyl derivatives of adenosine as potent and selective agonists at the human adenosine A(3) receptor and a starting point for searching A(2B) ligands. J Med Chem. 2002 Jul 18;45(15):3271-9.

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