Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0G5NE
|
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| Former ID |
DNC013832
|
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| Drug Name |
(Z)-8-(3-chlorostyryl)caffeine
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H17ClN4O2
|
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| Canonical SMILES |
CN1C2C(N=C1C=CC3=CC(=CC=C3)Cl)N(C(=O)N(C2=O)C)C
|
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| InChI |
1S/C16H17ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9,13-14H,1-3H3/b8-7+
|
||||
| InChIKey |
SIKKJYKLUJCDNQ-BQYQJAHWSA-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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