Drug Information

Drug General Information
Drug ID
D0KJ3H
Former ID
DNC007202
Drug Name
2-(2''-indolylethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Structure
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2D MOL

3D MOL
Formula
C20H22N6O5
Canonical SMILES
C1=CC=C2C(=C1)C=C(N2)CCOC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O<br />5)CO)O)O
InChI
1S/C20H22N6O5/c21-17-14-18(26(9-22-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-11-7-10-3-1-2-4-12(10)23-11/h1-4,7,9,13,15-16,19,23,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
InChIKey
VWETWISDPZSJHC-NVQRDWNXSA-N
PubChem Compound ID
16203431
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Inhibitor [528748]
Adenosine A2a receptor Target Info Inhibitor [528748]
Adenosine A3 receptor Target Info Inhibitor [528748]
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 528748J Med Chem. 2007 Apr 19;50(8):1810-27. Epub 2007 Mar 23.Structure-activity relationships of 2,N(6),5'-substituted adenosine derivatives with potent activity at the A2B adenosine receptor.
Ref 528748J Med Chem. 2007 Apr 19;50(8):1810-27. Epub 2007 Mar 23.Structure-activity relationships of 2,N(6),5'-substituted adenosine derivatives with potent activity at the A2B adenosine receptor.

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