title: Use of libraries to access new chemical space: applications to CRTH2.
abstract: The generation of novel CRTH2 ligands in heavily congested chemical space, by de novo design of libraries is disclosed. Novel (1719) compounds across seven libraries were synthesised. More than 100 of these compounds showed binding potency <3 μM against CRTH2, with the most potent being 247 nM. These libraries produced novel series and demonstrated that this approach is a viable one.
authors.affiliation: Pfizer Worldwide Medicinal Chemistry, Sandwich Laboratories, Sandwich, UK. mabidmasood@gmail.com
authors.forename: M
authors.initials: M
authors.lastname: Abid Masood
authors.forename: Mark
authors.initials: M
authors.lastname: Gardner
authors.forename: Kevin
authors.initials: K
authors.lastname: Dack
authors.forename: David
authors.initials: D
authors.lastname: Winpenny
authors.forename: Graham
authors.initials: G
authors.lastname: Lunn
mesh_terms: D002264:Carboxylic Acids / Q000737:chemistry; D006801:Humans; D008024:Ligands; D011485:Protein Binding; D011971:Receptors, Immunologic / Q000037:antagonists & inhibitors* / Q000378:metabolism; D011982:Receptors, Prostaglandin / Q000037:antagonists & inhibitors* / Q000378:metabolism; D054852:Small Molecule Libraries / Q000737:chemistry* / Q000494:pharmacology; D018418:Th2 Cells / Q000187:drug effects / Q000276:immunology
chemical_list: D002264:Carboxylic Acids; D008024:Ligands; D011971:Receptors, Immunologic; D011982:Receptors, Prostaglandin; D054852:Small Molecule Libraries; C036293:prostaglandin D2 receptor