Drug Information

Drug General Information
Drug ID
D0Y8SB
Former ID
DNC004211
Drug Name
L-249313
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525962]
Formula
C18H16N4O2
Canonical SMILES
CN1C=CC2=C(CN3C(=NC(=N3)C4=CC=CC=C4)C2=C1)C(=O)OC
InChI
1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
InChIKey
DBROFPXBIMMIMF-UHFFFAOYSA-N
PubChem Compound ID
4355631
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [525676]
Adenosine A1 receptor Target Info Inhibitor [525962]
KEGG Pathway cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Morphine addiction
NetPath Pathway 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
Reactome Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 525962J Med Chem. 2001 Jan 18;44(2):170-9.2-Alkynyl-8-aryl-9-methyladenines as novel adenosine receptor antagonists: their synthesis and structure-activity relationships toward hepatic glucose production induced via agonism of the A(2B) receptor.
Ref 525676Bioorg Med Chem Lett. 2000 Jan 3;10(1):31-4.The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family.
Ref 525962J Med Chem. 2001 Jan 18;44(2):170-9.2-Alkynyl-8-aryl-9-methyladenines as novel adenosine receptor antagonists: their synthesis and structure-activity relationships toward hepatic glucose production induced via agonism of the A(2B) receptor.