Drug Information

Drug General Information
Drug ID
D0E4LB
Former ID
DNC007159
Drug Name
2-(5-cyano-1-pent-1-ynyl)-N6-methoxyadenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C17H20N6O5
Canonical SMILES
CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCCCC#N
InChI
1S/C17H20N6O5/c1-27-22-15-12-16(21-11(20-15)6-4-2-3-5-7-18)23(9-19-12)17-14(26)13(25)10(8-24)28-17/h9-10,13-14,17,24-26H,2-3,5,8H2,1H3,(H,20,21,22)/t10-,13-,14-,17-/m1/s1
InChIKey
SNWMEUXNYSKHNP-IWCJZZDYSA-N
PubChem Compound ID
16115752
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.

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