title: 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.
authors.affiliation: Department of Chemistry, Vanderbilt University, 7330 Stevenson Center, Station B 351822, Nashville, TN 37232-6600, USA.
authors.forename: Ralf
authors.initials: R
authors.lastname: Mueller
authors.forename: Eric S
authors.initials: ES
authors.lastname: Dawson
authors.forename: Jens
authors.initials: J
authors.lastname: Meiler
authors.forename: Alice L
authors.initials: AL
authors.lastname: Rodriguez
authors.forename: Brian A
authors.initials: BA
authors.lastname: Chauder
authors.forename: Brittney S
authors.initials: BS
authors.lastname: Bates
authors.forename: Andrew S
authors.initials: AS
authors.lastname: Felts
authors.forename: Jeffrey P
authors.initials: JP
authors.lastname: Lamb
authors.forename: Usha N
authors.initials: UN
authors.lastname: Menon
authors.forename: Sataywan B
authors.initials: SB
authors.lastname: Jadhav
authors.forename: Alexander S
authors.initials: AS
authors.lastname: Kane
authors.forename: Carrie K
authors.initials: CK
authors.lastname: Jones
authors.forename: Karen J
authors.initials: KJ
authors.lastname: Gregory
authors.forename: Colleen M
authors.initials: CM
authors.lastname: Niswender
authors.forename: P Jeffrey
authors.initials: PJ
authors.lastname: Conn
authors.forename: Christopher M
authors.initials: CM
authors.lastname: Olsen
authors.forename: Danny G
authors.initials: DG
authors.lastname: Winder
authors.forename: Kyle A
authors.initials: KA
authors.lastname: Emmitte
authors.forename: Craig W
authors.initials: CW
authors.lastname: Lindsley
mesh_terms: D000494:Allosteric Regulation; D000818:Animals; D001008:Anxiety Disorders / Q000188:drug therapy / Q000378:metabolism*; D001522:Behavior, Animal / Q000187:drug effects; D001583:Benzoxazoles / Q000138:chemical synthesis* / Q000493:pharmacokinetics / Q000494:pharmacology; D001921:Brain / Q000187:drug effects* / Q000378:metabolism; D055808:Drug Discovery; D018698:Glutamic Acid / Q000378:metabolism; D057809:HEK293 Cells; D057166:High-Throughput Screening Assays; D006801:Humans; D007274:Injections, Intraperitoneal; D051379:Mice; D008810:Mice, Inbred C57BL; D016571:Neural Networks, Computer; D011619:Psychotropic Drugs / Q000138:chemical synthesis* / Q000493:pharmacokinetics / Q000494:pharmacology; D011743:Pyrimidines / Q000138:chemical synthesis* / Q000493:pharmacokinetics / Q000494:pharmacology; D012372:ROC Curve; D064529:Receptor, Metabotropic Glutamate 5; D018094:Receptors, Metabotropic Glutamate / Q000037:antagonists & inhibitors* / Q000378:metabolism; D054852:Small Molecule Libraries
chemical_list: D001583:Benzoxazoles; D011619:Psychotropic Drugs; D011743:Pyrimidines; D064529:Receptor, Metabotropic Glutamate 5; D018094:Receptors, Metabotropic Glutamate; D054852:Small Molecule Libraries; D018698:Glutamic Acid