Drug Information

Drug General Information
Drug ID
D00ASZ
Former ID
DNC007203
Drug Name
2-(3''-pyrrolylethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Formula
C16H20N6O5
Canonical SMILES
C1=CNC=C1CCOC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O
InChI
1S/C16H20N6O5/c17-13-10-14(21-16(20-13)26-4-2-8-1-3-18-5-8)22(7-19-10)15-12(25)11(24)9(6-23)27-15/h1,3,5,7,9,11-12,15,18,23-25H,2,4,6H2,(H2,17,20,21)/t9-,11-,12-,15-/m1/s1
InChIKey
OBDCLFIHFXHMSJ-SDBHATRESA-N
PubChem Compound ID
16204411
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [528748]
Adenosine A1 receptor Target Info Inhibitor [528748]
Adenosine A2a 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-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 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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