Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGlu₅): from an artificial neural network virtual screen to an in vivo tool compound

MeSH terms

• Allosteric Regulation
• Animals
• Anxiety Disorders / drug therapy
• Anxiety Disorders / metabolism*
• Behavior, Animal / drug effects
• Benzoxazoles / chemical synthesis*
• Benzoxazoles / pharmacokinetics
• Benzoxazoles / pharmacology
• Brain / drug effects*
• Brain / metabolism
• Drug Discovery
• Glutamic Acid / metabolism
• HEK293 Cells
• High-Throughput Screening Assays
• Humans
• Injections, Intraperitoneal
• Mice
• Mice, Inbred C57BL
• Neural Networks, Computer
• Psychotropic Drugs / chemical synthesis*
• Psychotropic Drugs / pharmacokinetics
• Psychotropic Drugs / pharmacology
• Pyrimidines / chemical synthesis*
• Pyrimidines / pharmacokinetics
• Pyrimidines / pharmacology
• ROC Curve
• Receptor, Metabotropic Glutamate 5
• Receptors, Metabotropic Glutamate / antagonists & inhibitors*
• Receptors, Metabotropic Glutamate / metabolism
• Small Molecule Libraries