Drug Information

Drug General Information
Drug ID
D01PGY
Former ID
DNC007161
Drug Name
2-(hex-1-ynyl)-N6-methoxyadenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C17H23N5O5
Canonical SMILES
CCCCC#CC1=NC2=C(C(=N1)NOC)N=CN2C3C(C(C(O3)CO)O)O
InChI
1S/C17H23N5O5/c1-3-4-5-6-7-11-19-15(21-26-2)12-16(20-11)22(9-18-12)17-14(25)13(24)10(8-23)27-17/h9-10,13-14,17,23-25H,3-5,8H2,1-2H3,(H,19,20,21)/t10-,13-,14-,17-/m1/s1
InChIKey
NIZLYCJGSQRCLN-IWCJZZDYSA-N
PubChem Compound ID
10045125
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [528684]
Adenosine A1 receptor Target Info Inhibitor [528684]
Adenosine A3 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 NGF-independant TRKA activation
Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
Monoamine Transport
GPCRs, Class A Rhodopsin-like
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP80:Nucleotide GPCRs
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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