Drug Information

Drug General Information
Drug ID
D05ZRR
Former ID
DNC008477
Drug Name
9-(3-aminobenzyl)-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
C16H14N6O
Canonical SMILES
C1=CC(=CC(=C1)N)CN2C=NC3=C(N=C(N=C32)N)C4=CC=CO4
InChI
1S/C16H14N6O/c17-11-4-1-3-10(7-11)8-22-9-19-14-13(12-5-2-6-23-12)20-16(18)21-15(14)22/h1-7,9H,8,17H2,(H2,18,20,21)
InChIKey
XBESCJVITPKCJA-UHFFFAOYSA-N
PubChem Compound ID
9836155
Target and Pathway
Target(s) Adenosine A2a receptor Target Info Inhibitor [529421]
Adenosine A1 receptor Target Info Inhibitor [529421]
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 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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