Drug Information

Drug General Information
Drug ID
D0LM1Q
Former ID
DNC011883
Drug Name
1,3-Dibenzyl-3,7-dihydro-purine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533486]
Structure
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2D MOL

3D MOL
Formula
C19H16N4O2
Canonical SMILES
C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
InChI
1S/C19H16N4O2/c24-18-16-17(21-13-20-16)22(11-14-7-3-1-4-8-14)19(25)23(18)12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,20,21)
InChIKey
NHCLZKKZQJJXER-UHFFFAOYSA-N
PubChem Compound ID
250782
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [533486]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholism
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 metabolism
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, Other
References
Ref 533486J Med Chem. 1986 Jul;29(7):1305-8.Analogues of caffeine and theophylline: effect of structural alterations on affinity at adenosine receptors.
Ref 533486J Med Chem. 1986 Jul;29(7):1305-8.Analogues of caffeine and theophylline: effect of structural alterations on affinity at adenosine receptors.

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