Drug Information

Drug General Information
Drug ID
D0B0QW
Former ID
DNC007153
Drug Name
N6-methoxy-2-[(4-pentylphenyl)ethynyl]adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C24H29N5O5
Canonical SMILES
CCCCCC1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)NOC)N=CN3C4C(C(C(O4<br />)CO)O)O
InChI
1S/C24H29N5O5/c1-3-4-5-6-15-7-9-16(10-8-15)11-12-18-26-22(28-33-2)19-23(27-18)29(14-25-19)24-21(32)20(31)17(13-30)34-24/h7-10,14,17,20-21,24,30-32H,3-6,13H2,1-2H3,(H,26,27,28)/t17-,20-,21-,24-/m1/s1
InChIKey
SQMZMNPGRAKQJD-FGSUIDRYSA-N
PubChem Compound ID
10389852
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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