Drug Information

Drug General Information
Drug ID
D02RBK
Former ID
DNC008825
Drug Name
9-Benzyl-8-bromo-9H-adenine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530014]
Structure
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2D MOL

3D MOL
Formula
C12H10BrN5
Canonical SMILES
C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2Br
InChI
1S/C12H10BrN5/c13-12-17-9-10(14)15-7-16-11(9)18(12)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16)
InChIKey
OUPAEJUFVKPEHM-UHFFFAOYSA-N
PubChem Compound ID
9904551
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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