Drug Information

Drug General Information
Drug ID
D0M5TM
Former ID
DNC012806
Drug Name
8-(3-Fluoro-phenyl)-9-methyl-9H-purin-6-ylamine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525962]
Structure
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2D MOL

3D MOL
Formula
C12H10FN5
Canonical SMILES
CN1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F
InChI
1S/C12H10FN5/c1-18-11(7-3-2-4-8(13)5-7)17-9-10(14)15-6-16-12(9)18/h2-6H,1H3,(H2,14,15,16)
InChIKey
JXJYLIUAIVDUNX-UHFFFAOYSA-N
PubChem Compound ID
10633978
Target and Pathway
Target(s) Adenosine A2b receptor Target Info Inhibitor [525962]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Alcoholism
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling Pathway
Pathway Interaction Database C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2b and Adenosine
Reactome Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 525962J Med Chem. 2001 Jan 18;44(2):170-9.2-Alkynyl-8-aryl-9-methyladenines as novel adenosine receptor antagonists: their synthesis and structure-activity relationships toward hepatic glucose production induced via agonism of the A(2B) receptor.
Ref 525962J Med Chem. 2001 Jan 18;44(2):170-9.2-Alkynyl-8-aryl-9-methyladenines as novel adenosine receptor antagonists: their synthesis and structure-activity relationships toward hepatic glucose production induced via agonism of the A(2B) receptor.

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