Drug Information

Drug General Information
Drug ID
D08EZI
Former ID
DNC007285
Drug Name
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527331]
Structure
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2D MOL

3D MOL
Formula
C21H21N3O
Canonical SMILES
CC(C)CC(=O)NC1=NC(=NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
1S/C21H21N3O/c1-15(2)13-20(25)23-19-14-18(16-9-5-3-6-10-16)22-21(24-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3,(H,22,23,24,25)
InChIKey
LUPWFOJGRCESTC-UHFFFAOYSA-N
PubChem Compound ID
11739042
Target and Pathway
Target(s) Adenosine A3 receptor Target Info Inhibitor [527331]
Adenosine A2a receptor Target Info Inhibitor [527331]
Adenosine A1 receptor Target Info Inhibitor [527331]
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 Adenosine P1 receptors
G alpha (i) signalling eventsR-HSA-187024:NGF-independant TRKA activation
G alpha (s) signalling events
Surfactant metabolismR-HSA-417973:Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCRs, OtherWP80:Nucleotide GPCRs
Monoamine Transport
NGF signalling via TRKA from the plasma membrane
GPCR ligand binding
GPCR downstream signaling
References
Ref 527331J Med Chem. 2004 Dec 16;47(26):6529-40.2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists.
Ref 527331J Med Chem. 2004 Dec 16;47(26):6529-40.2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists.

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