Drug Information

Drug General Information
Drug ID
D09VOP
Former ID
DNC007217
Drug Name
2-(3''-(5''-methoxy-indolyl)ethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Formula
C21H24N6O6
Canonical SMILES
COC1=CC2=C(C=C1)NC=C2CCOC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O<br />5)CO)O)O
InChI
1S/C21H24N6O6/c1-31-11-2-3-13-12(6-11)10(7-23-13)4-5-32-21-25-18(22)15-19(26-21)27(9-24-15)20-17(30)16(29)14(8-28)33-20/h2-3,6-7,9,14,16-17,20,23,28-30H,4-5,8H2,1H3,(H2,22,25,26)/t14-,16-,17-,20-/m1/s1
InChIKey
HIDGDYNRSPJOMR-WVSUBDOOSA-N
PubChem Compound ID
16203665
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.