Drug Information

Drug General Information
Drug ID
D0Y6HQ
Former ID
DNC007156
Drug Name
N6-methoxy-2-[(3-pyridinyl)ethynyl]-adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C18H18N6O5
Canonical SMILES
CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CN=CC=C4
InChI
1S/C18H18N6O5/c1-28-23-16-13-17(22-12(21-16)5-4-10-3-2-6-19-7-10)24(9-20-13)18-15(27)14(26)11(8-25)29-18/h2-3,6-7,9,11,14-15,18,25-27H,8H2,1H3,(H,21,22,23)/t11-,14-,15-,18-/m1/s1
InChIKey
XQAKVNKMDSEKNH-XKLVTHTNSA-N
PubChem Compound ID
16115478
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [528684]
Adenosine A2a receptor Target Info Inhibitor [528684]
Adenosine A1 receptor Target Info Inhibitor [528684]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway 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 network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a 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
References
Ref 528684J Med Chem. 2007 Mar 22;50(6):1222-30. Epub 2007 Feb 20.N6-methoxy-2-alkynyladenosine derivatives as highly potent and selective ligands at the human A3 adenosine receptor.
Ref 528684J Med Chem. 2007 Mar 22;50(6):1222-30. Epub 2007 Feb 20.N6-methoxy-2-alkynyladenosine derivatives as highly potent and selective ligands at the human A3 adenosine receptor.

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