Drug Information

Drug General Information
Drug ID
D0F1AS
Former ID
DNC011930
Drug Name
1-METHYLXANTHINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533429]
Structure
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2D MOL

3D MOL
Formula
C6H6N4O2
Canonical SMILES
CN1C(=O)C2=C(NC1=O)N=CN2
InChI
1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i1+1D3
InChIKey
MVOYJPOZRLFTCP-KQORAOOSSA-N
PubChem Compound ID
80220
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [533429]
Adenosine A2b receptor Target Info Inhibitor [533429]
Adenosine A1 receptor Target Info Inhibitor [533429]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04015:Rap1 signaling pathway
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 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 Adenosine
Reactome NGF-independant TRKA activation
Adenosine P1 receptors
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
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, OtherWP80:Nucleotide GPCRs
GPCR downstream signalingWP80:Nucleotide GPCRs
References
Ref 533429J Med Chem. 1988 Oct;31(10):2034-9.Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists.
Ref 533429J Med Chem. 1988 Oct;31(10):2034-9.Benzo[1,2-c:5,4-c']dipyrazoles: non-xanthine adenosine antagonists.

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