Drug Information

Drug General Information
Drug ID
D04MMG
Former ID
DNC008736
Drug Name
N6-[(4-Nitro)-phenyl]-9-benzyl-2-phenyladenine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529183]
Structure
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2D MOL

3D MOL
Formula
C24H18N6O2
Canonical SMILES
C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)[N+](=O)[<br />O-])C5=CC=CC=C5
InChI
1S/C24H18N6O2/c31-30(32)20-13-11-19(12-14-20)26-23-21-24(28-22(27-23)18-9-5-2-6-10-18)29(16-25-21)15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,26,27,28)
InChIKey
AQQCBPZYBVKEFU-UHFFFAOYSA-N
PubChem Compound ID
25104891
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [529183]
Adenosine A1 receptor Target Info Inhibitor [529183]
KEGG Pathway Rap1 signaling pathway
Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Parkinson's disease
Alcoholismhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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
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 metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
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, OtherWP80:Nucleotide GPCRs
References
Ref 529183Eur J Med Chem. 2008 Aug;43(8):1639-47. Epub 2007 Oct 24.N6-1,3-diphenylurea derivatives of 2-phenyl-9-benzyladenines and 8-azaadenines: synthesis and biological evaluation as allosteric modulators of A2A adenosine receptors.
Ref 529183Eur J Med Chem. 2008 Aug;43(8):1639-47. Epub 2007 Oct 24.N6-1,3-diphenylurea derivatives of 2-phenyl-9-benzyladenines and 8-azaadenines: synthesis and biological evaluation as allosteric modulators of A2A adenosine receptors.

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