Drug Information

Drug General Information
Drug ID
D03ADX
Former ID
DNC004222
Drug Name
3-Isobutyl-1-methyl-3,9-dihydro-purine-2,6-dione
Synonyms
3-Isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533542]
Formula
C10H14N4O2
Canonical SMILES
CC(C)CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI
1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
InChIKey
APIXJSLKIYYUKG-UHFFFAOYSA-N
PubChem Compound ID
3758
Target and Pathway
Target(s) CGMP-inhibited 3',5'-cyclic phosphodiesterase A Target Info Inhibitor [533395]
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1 Target Info Inhibitor [533395]
Adenosine A2a receptor Target Info Inhibitor [533486]
CAMP-specific 3',5'-cyclic phosphodiesterase 4B Target Info Inhibitor [533395]
Adenosine A2b receptor Target Info Inhibitor [533542]
Adenosine A1 receptor Target Info Inhibitor [533542]
CGMP-dependent3',5'-cyclic phosphodiesterase Target Info Inhibitor [533395]
CAMP-specific 3',5'-cyclic phosphodiesterase 4A Target Info Inhibitor [533395]
Adenosine A3 receptor Target Info Inhibitor [533542]
Type IV phosphodiesterase Target Info Inhibitor [533395]
KEGG Pathway Purine metabolism
cGMP-PKG signaling pathway
cAMP signaling pathway
Morphine addictionhsa04015:Rap1 signaling pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa00230:Purine metabolism
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Morphine addictionhsa00230:Purine metabolism
Morphine addiction
NetPath Pathway IL5 Signaling Pathway
IL2 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
RANKL Signaling PathwayNetPath_23:TSH 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 networkcmyb_pathway:C-MYB transcription factor network
PathWhiz Pathway Intracellular Signalling Through Adenosine Receptor A2a and AdenosinePW000446:Intracellular Signalling Through Adenosine Receptor A2b and AdenosinePW000052:Purine Metabolism
Reactome cGMP effects
G alpha (s) signalling eventsR-HSA-187024:NGF-independant TRKA activation
Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-180024:DARPP-32 events
G alpha (s) signalling eventsR-HSA-417973:Adenosine P1 receptors
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-418457:cGMP effects
G alpha (s) signalling eventsR-HSA-180024:DARPP-32 events
G alpha (i) signalling eventsR-HSA-180024:DARPP-32 events
WikiPathways miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBaseWP80:Nucleotide GPCRs
Monoamine Transport
GPCRs, Class A Rhodopsin-like
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP35:G Protein Signaling Pathways
Myometrial Relaxation and Contraction Pathways
Nuclear Receptors Meta-Pathway
Opioid SignallingWP80:Nucleotide GPCRs
GPCR downstream signalingWP80:Nucleotide GPCRs
GPCR downstream signalingWP35:G Protein Signaling PathwaysWP80:Nucleotide GPCRs
TSH signaling pathway
References
Ref 533542J Med Chem. 1982 Mar;25(3):197-207.Adenosine receptors: targets for future drugs.
Ref 533395J Med Chem. 1985 May;28(5):537-45.A new generation of phosphodiesterase inhibitors: multiple molecular forms of phosphodiesterase and the potential for drug selectivity.
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 533542J Med Chem. 1982 Mar;25(3):197-207.Adenosine receptors: targets for future drugs.

If you find any error in data or bug in web service, please kindly report it to Dr. Tang and Dr. Mou.