Drug Information
Drug General Information | Top | |||
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Drug ID |
D06ZLL
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Former ID |
DNC013830
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Drug Name |
(E,E)-8-[4-(3-Bromophenyl)butadien-1-yl]caffeine
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Synonyms |
CHEMBL522256; (E,E)-8-[4-(3-Bromophenyl)butadien-1-yl]caffeine
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C18H17BrN4O2
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Canonical SMILES |
CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC=CC3=CC(=CC=C3)Br
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InChI |
1S/C18H17BrN4O2/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 |
YJBUYKLAHVOOFW-HOZCHFDZSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Adenosine A2a receptor (ADORA2A) | 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 | ||||
Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2a and Adenosine | |||
Pathway Interaction Database | HIF-2-alpha transcription factor network | |||
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 | Top | |||
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REF 1 | Dual inhibition of monoamine oxidase B and antagonism of the adenosine A(2A) receptor by (E,E)-8-(4-phenylbutadien-1-yl)caffeine analogues. Bioorg Med Chem. 2008 Sep 15;16(18):8676-84. |
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