Drug Information

Drug General Information
Drug ID
D0Q5HW
Former ID
DNC007154
Drug Name
N6-methoxy-2-[(4-methylphenyl)ethynyl]adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C20H21N5O5
Canonical SMILES
CC1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)NOC)N=CN3C4C(C(C(O4)CO)<br />O)O
InChI
1S/C20H21N5O5/c1-11-3-5-12(6-4-11)7-8-14-22-18(24-29-2)15-19(23-14)25(10-21-15)20-17(28)16(27)13(9-26)30-20/h3-6,10,13,16-17,20,26-28H,9H2,1-2H3,(H,22,23,24)/t13-,16-,17-,20-/m1/s1
InChIKey
QEUCNKIJAMGFSL-AEVYOOLXSA-N
PubChem Compound ID
9801709
Target and Pathway
Target(s) Adenosine A1 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 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
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-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 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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