Drug Information

Drug General Information
Drug ID
D0BA7Q
Former ID
DNC011603
Drug Name
1-Methyl-8-phenyl-3,7-dihydro-purine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533339]
Structure
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2D MOL

3D MOL
Formula
C12H10N4O2
Canonical SMILES
CN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3
InChI
1S/C12H10N4O2/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H,15,18)
InChIKey
UOOOWRVLSKCKGJ-UHFFFAOYSA-N
PubChem Compound ID
323342
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [526958]
Adenosine A1 receptor Target Info Inhibitor [533339]
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 533339J Med Chem. 1989 Jun;32(6):1231-7.Effects of 8-phenyl and 8-cycloalkyl substituents on the activity of mono-, di-, and trisubstituted alkylxanthines with substitution at the 1-, 3-, and 7-positions.
Ref 526958J Med Chem. 2004 Feb 12;47(4):1031-43.Preparation, properties, reactions, and adenosine receptor affinities of sulfophenylxanthine nitrophenyl esters: toward the development of sulfonic acid prodrugswith peroral bioavailability.
Ref 533339J Med Chem. 1989 Jun;32(6):1231-7.Effects of 8-phenyl and 8-cycloalkyl substituents on the activity of mono-, di-, and trisubstituted alkylxanthines with substitution at the 1-, 3-, and 7-positions.

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