title: Lead identification of 2-iminobenzimidazole antagonists of the chemokine receptor CXCR3.
abstract: Modification of a 2-iminobenzimidazole series derived from an HTS hit resulted in compounds with improved in-vitro species selectivity. Incorporation of an 8-quinoline amide and conformational rigidification of an aliphatic tether furnished potent compounds suitable for further lead optimization.
authors.affiliation: Abbott Bioresearch Center, Medicinal Chemistry, 381 Plantation Street, Worcester, MA 01605, USA. martin.hayes@abbott.com
authors.forename: Martin E
authors.initials: ME
authors.lastname: Hayes
authors.forename: Eric C
authors.initials: EC
authors.lastname: Breinlinger
authors.forename: Grier A
authors.initials: GA
authors.lastname: Wallace
authors.forename: Pintipa
authors.initials: P
authors.lastname: Grongsaard
authors.forename: Wenyan
authors.initials: W
authors.lastname: Miao
authors.forename: Michael J
authors.initials: MJ
authors.lastname: McPherson
authors.forename: Robert H
authors.initials: RH
authors.lastname: Stoffel
authors.forename: David W
authors.initials: DW
authors.lastname: Green
authors.forename: Gregory P
authors.initials: GP
authors.lastname: Roth
mesh_terms: D000577:Amides / Q000737:chemistry / Q000494:pharmacology*; D000818:Animals; D001562:Benzimidazoles / Q000138:chemical synthesis / Q000494:pharmacology*; D001665:Binding Sites; D016466:CHO Cells / Q000187:drug effects; D006224:Cricetinae; D003412:Cricetulus; D006801:Humans; D008956:Models, Chemical; D011804:Quinolines / Q000737:chemistry / Q000494:pharmacology*; D011869:Radioligand Assay; D054367:Receptors, CXCR3 / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013329:Structure-Activity Relationship
chemical_list: D000577:Amides; D001562:Benzimidazoles; D011804:Quinolines; D054367:Receptors, CXCR3