title: Discovery and optimisation of a potent and selective tertiary sulfonamide oxytocin antagonist.
abstract: The optimisation of a tertiary sulfonamide high-throughput screening hit is described. A combination of high-throughput chemistry, pharmacophore analysis and in silico PK profiling resulted in the discovery of potent sulfonamide oxytocin receptor antagonists with oral exposure and good selectivity over vasopressin receptors.
authors.affiliation: GlaxoSmithKline Pharmaceuticals, New Frontiers Science Park (North), Coldharbour Road, Harlow, Essex CM19 5AD, England, UK.
authors.forename: Nicholas P
authors.initials: NP
authors.lastname: Barton
authors.forename: Benjamin R
authors.initials: BR
authors.lastname: Bellenie
authors.forename: Andrew T
authors.initials: AT
authors.lastname: Doran
authors.forename: Amanda J
authors.initials: AJ
authors.lastname: Emmons
authors.forename: Jag P
authors.initials: JP
authors.lastname: Heer
authors.forename: Cristian M
authors.initials: CM
authors.lastname: Salvagno
mesh_terms: D000284:Administration, Oral; D055808:Drug Discovery; D008958:Models, Molecular; D010121:Oxytocin / Q000037:antagonists & inhibitors*; D013449:Sulfonamides / Q000008:administration & dosage / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D013449:Sulfonamides; D010121:Oxytocin