Drug Information

Drug General Information
Drug ID
D07HVJ
Former ID
DNC007218
Drug Name
2-(3''-(benzoimidazole-1''-yl)ethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Structure
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2D MOL

3D MOL
Formula
C19H21N7O5
Canonical SMILES
C1=CC=C2C(=C1)N=CN2CCOC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)<br />CO)O)O
InChI
1S/C19H21N7O5/c20-16-13-17(26(9-22-13)18-15(29)14(28)12(7-27)31-18)24-19(23-16)30-6-5-25-8-21-10-3-1-2-4-11(10)25/h1-4,8-9,12,14-15,18,27-29H,5-7H2,(H2,20,23,24)/t12-,14-,15-,18-/m1/s1
InChIKey
KTEOQJBVVWABJA-SCFUHWHPSA-N
PubChem Compound ID
16203666
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [528748]
Adenosine A2a 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
Alcoholism
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 metabolism
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
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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