Drug Information

Drug General Information
Drug ID
D0Q5CS
Former ID
DNC007215
Drug Name
6-guanidino-2-(3''-indolylethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Structure
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2D MOL

3D MOL
Formula
C20H22N8O4
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CCOC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O<br />5)C(=N)N)O)O
InChI
1S/C20H22N8O4/c21-16(22)15-13(29)14(30)19(32-15)28-8-25-12-17(23)26-20(27-18(12)28)31-6-5-9-7-24-11-4-2-1-3-10(9)11/h1-4,7-8,13-15,19,24,29-30H,5-6H2,(H3,21,22)(H2,23,26,27)/t13-,14+,15-,19+/m0/s1
InChIKey
AWBHOELFSQMGIY-QCUYGVNKSA-N
PubChem Compound ID
44420924
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [528748]
Adenosine A2a receptor Target Info Inhibitor [528748]
Adenosine A1 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 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
GPCRs, OtherWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
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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