Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile)

Journal of Medicinal Chemistry

Volumn 58, Issue 16, 2015, Pages 6653-6664

  Christopher, John A ^a   Aves, Sarah J ^a   Bennett, Kirstie A ^a   Doré, Andrew S ^a   Errey, James C ^a   Jazayeri, Ali ^a   Marshall, Fiona H ^a   Okrasa, Krzysztof ^a   Serrano Vega, Maria J ^a   Tehan, Benjamin G ^a   Wiggin, Giselle R ^a   Congreve, Miles ^a  

^a Heptares Therapeutics Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE; DIPRAGLURANT; GLUTAMATE RECEPTOR 5; MAVOGLURANT; UNCLASSIFIED DRUG; [3 CHLORO 5 [6 (5 FLUOROPYRIDIN 2 YL)PYRIMIDIN 4 YL]BENZONITRILE]; 3-CHLORO-5-(6-(5-FLUOROPYRIDIN-2-YL)PYRIMIDIN-4-YL)BENZONITRILE; G PROTEIN COUPLED RECEPTOR; GRM5 PROTEIN, RAT; LIGAND; METABOTROPIC RECEPTOR 5; PYRIDINE DERIVATIVE; PYRIMIDINE DERIVATIVE;

ANIMAL CELL; ANIMAL EXPERIMENT; AREA UNDER THE CURVE; ARTICLE; COMPLEX FORMATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; CRYSTALLIZATION; CYTOTOXICITY ASSAY; DRUG CLEARANCE; DRUG DISTRIBUTION; DRUG DOSE; DRUG EFFICACY; DRUG HALF LIFE; DRUG PENETRATION; DRUG SCREENING; DRUG STABILITY; DRUG STRUCTURE; GENOTOXICITY; HUMAN; HUMAN CELL; IN VITRO STUDY; NONHUMAN; RAT; RECEPTOR OCCUPANCY; STRUCTURE ACTIVITY RELATION; ALLOSTERISM; ANIMAL; CACO 2 CELL LINE; CHEMICAL STRUCTURE; CONFORMATION; DOG; DRUG DESIGN; DRUG DEVELOPMENT; DRUG EFFECTS; HEK293 CELL LINE; SYNTHESIS;

ALLOSTERIC REGULATION; ANIMALS; CACO-2 CELLS; DOGS; DRUG DESIGN; DRUG DISCOVERY; HEK293 CELLS; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRIDINES; PYRIMIDINES; RATS; RECEPTOR, METABOTROPIC GLUTAMATE 5; RECEPTORS, G-PROTEIN-COUPLED; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84940544977     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.5b00892     Document Type: Article

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