Drug Information

Drug General Information
Drug ID
D0B1YW
Former ID
DNC003644
Drug Name
8-Phenyl-1-propyl-3,7-dihydro-purine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533940]
Formula
C14H14N4O2
Canonical SMILES
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CC=C3
InChI
1S/C14H14N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)(H,17,20)
InChIKey
LNATVXLECNOWHK-UHFFFAOYSA-N
PubChem Compound ID
15627855
Target and Pathway
Target(s) Adenosine A2b receptor Target Info Inhibitor [526958]
Adenosine A2a receptor Target Info Inhibitor [526958]
Adenosine A1 receptor Target Info Inhibitor [533940]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Alcoholismhsa04015:Rap1 signaling pathway
cAMP signaling pathway
Parkinson's disease
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Morphine addiction
NetPath Pathway TGF_beta_Receptor Signaling Pathway
TCR Signaling PathwayNetPath_11: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 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 (s) signalling events
Surfactant metabolismR-HSA-187024:NGF-independant TRKA activation
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
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, OtherWP80:Nucleotide GPCRs
References
Ref 533940J Med Chem. 1993 Oct 29;36(22):3341-9.Synthesis of paraxanthine analogs (1,7-disubstituted xanthines) and other xanthines unsubstituted at the 3-position: structure-activity relationships at adenosine receptors.
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 533940J Med Chem. 1993 Oct 29;36(22):3341-9.Synthesis of paraxanthine analogs (1,7-disubstituted xanthines) and other xanthines unsubstituted at the 3-position: structure-activity relationships at adenosine receptors.

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