Drug Information

Drug General Information
Drug ID
D01RPD
Former ID
DNC013828
Drug Name
(E,E)-8-(4-Phenylbutadien-1-yl)caffeine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529653]
Structure
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2D MOL

3D MOL
Formula
C18H18N4O2
Canonical SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC=CC3=CC=CC=C3
InChI
1S/C18H18N4O2/c1-20-14(12-8-7-11-13-9-5-4-6-10-13)19-16-15(20)17(23)22(3)18(24)21(16)2/h4-12H,1-3H3/b11-7+,12-8+
InChIKey
NDTZOLIJIQKCRC-MKICQXMISA-N
PubChem Compound ID
44579939
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [529653]
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 529653Bioorg 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.
Ref 529653Bioorg 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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