Drug Information

Drug General Information
Drug ID
D02NBB
Former ID
DNC008479
Drug Name
9-(3-nitrobenzyl)-6-(furan-2-yl)-9H-purin-2-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529421]
Structure
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2D MOL

3D MOL
Formula
C16H12N6O3
Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(N=C(N=C32)N)C4=CC<br />=CO4
InChI
1S/C16H12N6O3/c17-16-19-13(12-5-2-6-25-12)14-15(20-16)21(9-18-14)8-10-3-1-4-11(7-10)22(23)24/h1-7,9H,8H2,(H2,17,19,20)
InChIKey
LYSMIARHRJVSBZ-UHFFFAOYSA-N
PubChem Compound ID
44449695
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Inhibitor [529421]
Adenosine A2a receptor Target Info Inhibitor [529421]
KEGG Pathway cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Morphine addictionhsa04015:Rap1 signaling pathway
Calcium signaling pathway
Vascular smooth muscle contraction
Parkinson's disease
Alcoholism
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 Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-187024:NGF-independant TRKA activation
G alpha (s) signalling events
Surfactant metabolism
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signalingWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR downstream signaling
GPCRs, Other
References
Ref 529421Bioorg Med Chem Lett. 2008 May 1;18(9):2924-9. Epub 2008 Mar 30.Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidinesand 6-arylpurines.
Ref 529421Bioorg Med Chem Lett. 2008 May 1;18(9):2924-9. Epub 2008 Mar 30.Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidinesand 6-arylpurines.

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