Drug Information

Drug General Information
Drug ID
D0D9YL
Former ID
DNC004216
Drug Name
1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526332]
Structure
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2D MOL

3D MOL
Formula
C13H12N4O2
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC=N2
InChI
1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey
YAYRUHPCXIPTID-UHFFFAOYSA-N
PubChem Compound ID
11821203
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [526332]
Adenosine A2b receptor Target Info Inhibitor [526332]
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 (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 526332J Med Chem. 2002 May 23;45(11):2131-8.Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.
Ref 526332J Med Chem. 2002 May 23;45(11):2131-8.Structure-activity relationships at human and rat A2B adenosine receptors of xanthine derivatives substituted at the 1-, 3-, 7-, and 8-positions.

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