| 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 |
[1]
|
|---|
| Structure |
|
Download
2D MOL
|
| 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 |
|
| Target and Pathway |
| Target(s) |
CGMP-inhibited 3',5'-cyclic phosphodiesterase A |
Target Info |
Inhibitor |
[2]
|
|---|
| Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1 |
Target Info |
Inhibitor |
[2]
|
| Adenosine A2a receptor |
Target Info |
Inhibitor |
[3]
|
| CAMP-specific 3',5'-cyclic phosphodiesterase 4B |
Target Info |
Inhibitor |
[2]
|
| Adenosine A2b receptor |
Target Info |
Inhibitor |
[1]
|
| Adenosine A1 receptor |
Target Info |
Inhibitor |
[1]
|
| CGMP-dependent3',5'-cyclic phosphodiesterase |
Target Info |
Inhibitor |
[2]
|
| CAMP-specific 3',5'-cyclic phosphodiesterase 4A |
Target Info |
Inhibitor |
[2]
|
| Adenosine A3 receptor |
Target Info |
Inhibitor |
[1]
|
| Type IV phosphodiesterase |
Target Info |
Inhibitor |
[2]
|
|
KEGG Pathway
|
Purine metabolism
|
|
cGMP-PKG signaling pathway
|
|
cAMP signaling pathway
|
|
Morphine addictionhsa04015:Rap1 signaling pathway
|
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Calcium signaling pathway
|
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Neuroactive ligand-receptor interaction
|
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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
|
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IL2 Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling Pathway
|
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TCR Signaling PathwayNetPath_11:TCR Signaling Pathway
|
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RANKL Signaling PathwayNetPath_23:TSH Signaling Pathway
|
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PANTHER Pathway
|
Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
|
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Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
|
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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
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cGMP effects
|
|
G alpha (s) signalling eventsR-HSA-187024:NGF-independant TRKA activation
|
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Adenosine P1 receptors
|
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G alpha (s) signalling events
|
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Surfactant metabolismR-HSA-180024:DARPP-32 events
|
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G alpha (s) signalling eventsR-HSA-417973:Adenosine P1 receptors
|
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Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
|
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G alpha (i) signalling eventsR-HSA-418457:cGMP effects
|
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G alpha (s) signalling eventsR-HSA-180024:DARPP-32 events
|
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G alpha (i) signalling eventsR-HSA-180024:DARPP-32 events
|
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WikiPathways
|
miR-targeted genes in muscle cell - TarBase
|
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miR-targeted genes in lymphocytes - TarBaseWP80:Nucleotide GPCRs
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Monoamine Transport
|
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GPCRs, Class A Rhodopsin-like
|
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NGF signalling via TRKA from the plasma membrane
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GPCR ligand binding
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GPCR downstream signaling
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GPCRs, OtherWP35:G Protein Signaling Pathways
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Myometrial Relaxation and Contraction Pathways
|
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Nuclear Receptors Meta-Pathway
|
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Opioid SignallingWP80:Nucleotide GPCRs
|
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GPCR downstream signalingWP80:Nucleotide GPCRs
|
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GPCR downstream signalingWP35:G Protein Signaling PathwaysWP80:Nucleotide GPCRs
|
|
TSH signaling pathway
|
| References |
| REF 1 | J Med Chem. 1982 Mar;25(3):197-207.Adenosine receptors: targets for future drugs. |
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| REF 2 | J 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. |
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| REF 3 | J 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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