Drug Information

Drug General Information
Drug ID
D0N0OE
Former ID
DNC010489
Drug Name
7-(3,6,9,12-tetraoxatricos-22-enyl)theophylline
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530768]
Structure
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2D MOL

3D MOL
Formula
C26H44N4O6
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOCCOCCOCCOCCCCCCCCCC=C
InChI
1S/C26H44N4O6/c1-4-5-6-7-8-9-10-11-12-14-33-16-18-35-20-21-36-19-17-34-15-13-30-22-27-24-23(30)25(31)29(3)26(32)28(24)2/h4,22H,1,5-21H2,2-3H3
InChIKey
VWEZUVSKUQSAQQ-UHFFFAOYSA-N
PubChem Compound ID
46229111
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Inhibitor [530768]
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 events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 530768Bioorg Med Chem. 2010 Mar 15;18(6):2081-8. Epub 2010 Feb 15.Synthesis of theophylline derivatives and study of their activity as antagonists at adenosine receptors.
Ref 530768Bioorg Med Chem. 2010 Mar 15;18(6):2081-8. Epub 2010 Feb 15.Synthesis of theophylline derivatives and study of their activity as antagonists at adenosine receptors.

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