Drug Information

Drug General Information
Drug ID
D09RNK
Former ID
DNC013908
Drug Name
5-Biphenyl-4-ylethynyl-pyrimidine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529531]
Formula
C18H12N2
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CN=CN=C3
InChI
1S/C18H12N2/c1-2-4-17(5-3-1)18-10-8-15(9-11-18)6-7-16-12-19-14-20-13-16/h1-5,8-14H
InChIKey
WSPLFBLWQURLSJ-UHFFFAOYSA-N
PubChem Compound ID
44560632
Target and Pathway
Target(s) Metabotropic glutamate receptor 5 Target Info Inhibitor [529531]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Long-term potentiation
Retrograde endocannabinoid signaling
Glutamatergic synapse
Huntington's disease
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Metabotropic glutamate receptor group III pathway
Metabotropic glutamate receptor group I pathway
Endogenous cannabinoid signaling
Reactome G alpha (q) signalling events
Class C/3 (Metabotropic glutamate/pheromone receptors)
WikiPathways Hypothetical Network for Drug Addiction
GPCRs, Class C Metabotropic glutamate, pheromone
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 529531Bioorg Med Chem Lett. 2008 Jul 15;18(14):4098-101. Epub 2008 May 29.Synthesis and SAR of a mGluR5 allosteric partial antagonist lead: unexpected modulation of pharmacology with slight structural modifications to a 5-(phenylethynyl)pyrimidine scaffold.
Ref 529531Bioorg Med Chem Lett. 2008 Jul 15;18(14):4098-101. Epub 2008 May 29.Synthesis and SAR of a mGluR5 allosteric partial antagonist lead: unexpected modulation of pharmacology with slight structural modifications to a 5-(phenylethynyl)pyrimidine scaffold.

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