Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0N0OE
|
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| Former ID |
DNC010489
|
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| Drug Name |
7-(3,6,9,12-tetraoxatricos-22-enyl)theophylline
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C26H44N4O6
|
||||
| Canonical SMILES |
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOCCOCCOCCOCCCCCCCCCC=C
|
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| 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
|
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| InChIKey |
VWEZUVSKUQSAQQ-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Adenosine A1 receptor | Target Info | Inhibitor | [1] | |
| 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 1 | Bioorg 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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