Drug Information

Drug General Information
Drug ID
D07IPZ
Former ID
DNC007158
Drug Name
2-(4-hydroxypent-1-yl)-N6-methoxyadenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528684]
Structure
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2D MOL

3D MOL
Formula
C16H21N5O6
Canonical SMILES
CC(CC#CC1=NC2=C(C(=N1)NOC)N=CN2C3C(C(C(O3)CO)O)O)O
InChI
1S/C16H21N5O6/c1-8(23)4-3-5-10-18-14(20-26-2)11-15(19-10)21(7-17-11)16-13(25)12(24)9(6-22)27-16/h7-9,12-13,16,22-25H,4,6H2,1-2H3,(H,18,19,20)/t8?,9-,12-,13-,16-/m1/s1
InChIKey
MVQXWIPZMVHVNF-WTBWQYLWSA-N
PubChem Compound ID
11740439
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [528684]
Adenosine A1 receptor Target Info Inhibitor [528684]
Adenosine A2a 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-417973:Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-187024:NGF-independant TRKA activation
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signalingWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR downstream signaling
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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