Drug Information

Drug General Information
Drug ID
D03HBG
Former ID
DNC007211
Drug Name
2-(3''-(4''-bromo-indolyl)ethyloxy)adenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528748]
Structure
Download
2D MOL

3D MOL
Formula
C20H21BrN6O5
Canonical SMILES
C1=CC2=C(C(=C1)Br)C(=CN2)CCOC3=NC4=C(C(=N3)N)N=CN4C5C(C<br />(C(O5)CO)O)O
InChI
1S/C20H21BrN6O5/c21-10-2-1-3-11-13(10)9(6-23-11)4-5-31-20-25-17(22)14-18(26-20)27(8-24-14)19-16(30)15(29)12(7-28)32-19/h1-3,6,8,12,15-16,19,23,28-30H,4-5,7H2,(H2,22,25,26)/t12-,15-,16-,19-/m1/s1
InChIKey
GBCVNJCVWVIDED-BGIGGGFGSA-N
PubChem Compound ID
16203543
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.