Drug Information

Drug General Information
Drug ID
D0P8MK
Former ID
DNC008821
Drug Name
2-(6-amino-8-bromo-9H-purin-9-yl)ethanol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530966]
Structure
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2D MOL

3D MOL
Formula
C7H8BrN5O
Canonical SMILES
C1=NC2=C(C(=N1)N)N=C(N2CCO)Br
InChI
1S/C7H8BrN5O/c8-7-12-4-5(9)10-3-11-6(4)13(7)1-2-14/h3,14H,1-2H2,(H2,9,10,11)
InChIKey
HPCQLQBYCLLETI-UHFFFAOYSA-N
PubChem Compound ID
44572469
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Inhibitor [530966]
Adenosine A2b receptor Target Info Inhibitor [530966]
Adenosine A2a receptor Target Info Inhibitor [530966]
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
Alcoholismhsa04015:Rap1 signaling pathway
Parkinson's disease
Alcoholism
NetPath Pathway TCR Signaling Pathway
RANKL Signaling PathwayNetPath_7:TGF_beta_Receptor 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 C-MYB transcription factor networkhif2pathway:HIF-2-alpha transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2b and AdenosinePW000445:Intracellular Signalling Through Adenosine Receptor A2a and Adenosine
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-187024:NGF-independant TRKA activation
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
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 530966Eur J Med Chem. 2010 Aug;45(8):3459-71. Epub 2010 May 7.Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.
Ref 530966Eur J Med Chem. 2010 Aug;45(8):3459-71. Epub 2010 May 7.Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.

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