Drug Information

Drug General Information
Drug ID
D0KT3L
Former ID
DNC007152
Drug Name
2-[(4-fluorophenyl)ethynyl]-N6-methoxyadenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C19H18FN5O5
Canonical SMILES
CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=C(C=C4)<br />F
InChI
1S/C19H18FN5O5/c1-29-24-17-14-18(23-13(22-17)7-4-10-2-5-11(20)6-3-10)25(9-21-14)19-16(28)15(27)12(8-26)30-19/h2-3,5-6,9,12,15-16,19,26-28H,8H2,1H3,(H,22,23,24)/t12-,15-,16-,19-/m1/s1
InChIKey
IEVVENMHWBPFQV-BGIGGGFGSA-N
PubChem Compound ID
10454501
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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