Drug Information

Drug General Information
Drug ID
D0N1QO
Former ID
DNC007150
Drug Name
N6-methoxy-2-[(4-methoxyphenyl)ethynyl]adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Formula
C20H21N5O6
Canonical SMILES
COC1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)NOC)N=CN3C4C(C(C(O4)CO<br />)O)O
InChI
1S/C20H21N5O6/c1-29-12-6-3-11(4-7-12)5-8-14-22-18(24-30-2)15-19(23-14)25(10-21-15)20-17(28)16(27)13(9-26)31-20/h3-4,6-7,10,13,16-17,20,26-28H,9H2,1-2H3,(H,22,23,24)/t13-,16-,17-,20-/m1/s1
InChIKey
MZYNTNQYNANXII-AEVYOOLXSA-N
PubChem Compound ID
10320311
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Inhibitor [528684]
Adenosine A2a receptor Target Info Inhibitor [528684]
Adenosine A3 receptor Target Info Inhibitor [528684]
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
Parkinson's disease
Alcoholism
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
GPCR ligand binding
GPCR downstream signalingWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR downstream signaling
GPCRs, OtherWP80:Nucleotide GPCRs
GPCRs, Other
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.