Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D08DPH
|
||||
| Former ID |
DNC013831
|
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| Drug Name |
(E,E)-8-[4-(3-Chlorophenyl)butadien-1-yl]caffeine
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H17ClN4O2
|
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| Canonical SMILES |
CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC=CC3=CC(=CC=C3)Cl
|
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| InChI |
1S/C18H17ClN4O2/c1-21-14(10-5-4-7-12-8-6-9-13(19)11-12)20-16-15(21)17(24)23(3)18(25)22(16)2/h4-11H,1-3H3/b7-4+,10-5+
|
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| InChIKey |
MINUIDFUFCXYDK-HOZCHFDZSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Adenosine A2a receptor | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Rap1 signaling pathway | ||||
| Calcium signaling pathway | |||||
| cAMP signaling pathway | |||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contraction | |||||
| Parkinson's disease | |||||
| Alcoholism | |||||
| Pathway Interaction Database | HIF-2-alpha transcription factor network | ||||
| PathWhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2a and Adenosine | ||||
| Reactome | NGF-independant TRKA activation | ||||
| Adenosine P1 receptors | |||||
| G alpha (s) signalling events | |||||
| Surfactant metabolism | |||||
| 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, Other | |||||
| References | |||||
| REF 1 | Bioorg Med Chem. 2008 Sep 15;16(18):8676-84. Epub 2008 Aug 5.Dual inhibition of monoamine oxidase B and antagonism of the adenosine A(2A) receptor by (E,E)-8-(4-phenylbutadien-1-yl)caffeine analogues. | ||||
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