Drug Information

Drug General Information
Drug ID
D00CJJ
Former ID
DNC008826
Drug Name
8-Bromo-9-phenylethyl-9H-adenine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530014]
Structure
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2D MOL

3D MOL
Formula
C13H12BrN5
Canonical SMILES
C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)N)N=C2Br
InChI
1S/C13H12BrN5/c14-13-18-10-11(15)16-8-17-12(10)19(13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,16,17)
InChIKey
LQIMXMMBTNEKMZ-UHFFFAOYSA-N
PubChem Compound ID
12016636
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [530014]
Adenosine A1 receptor Target Info Inhibitor [530014]
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 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
References
Ref 530014Bioorg Med Chem. 2009 Apr 1;17(7):2812-22. Epub 2009 Feb 23.8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands.
Ref 530014Bioorg Med Chem. 2009 Apr 1;17(7):2812-22. Epub 2009 Feb 23.8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands.

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