Drug Information

Drug General Information
Drug ID
D0P0BV
Former ID
DNC007216
Drug Name
2-(3''-(5''-hydroxyindolyl)ethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Structure
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2D MOL

3D MOL
Formula
C20H22N6O6
Canonical SMILES
C1=CC2=C(C=C1O)C(=CN2)CCOC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(<br />O5)CO)O)O
InChI
1S/C20H22N6O6/c21-17-14-18(26(8-23-14)19-16(30)15(29)13(7-27)32-19)25-20(24-17)31-4-3-9-6-22-12-2-1-10(28)5-11(9)12/h1-2,5-6,8,13,15-16,19,22,27-30H,3-4,7H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
InChIKey
CPKNPTKTLVLFFU-NVQRDWNXSA-N
PubChem Compound ID
16202841
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [528748]
Adenosine A1 receptor Target Info Inhibitor [528748]
Adenosine A3 receptor Target Info Inhibitor [528748]
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 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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