Drug Information

Drug General Information
Drug ID
D04XLX
Former ID
DNC008476
Drug Name
2-amino-N-benzyl-6-phenyl-9H-purine-9-carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529421]
Structure
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2D MOL

3D MOL
Formula
C19H16N6O
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)N2C=NC3=C(N=C(N=C32)N)C4=CC=CC=C4
InChI
1S/C19H16N6O/c20-18-23-15(14-9-5-2-6-10-14)16-17(24-18)25(12-22-16)19(26)21-11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,21,26)(H2,20,23,24)
InChIKey
MNONTGDJIJLFPU-UHFFFAOYSA-N
PubChem Compound ID
44449523
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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