title: Design, synthesis, and discovery of 5-piperazinyl-1,2,6,7-tetrahydro-5H-azepino[3,2,1-hi]indol-4-one derivatives: a novel series of mixed dopamine D2/D4 receptor antagonist.
abstract: 5-piperazinyl-1,2,6,7-tetrahydro-5H-azepino[3,2,1-hi]indol-4-one derivatives were designed, synthesized, and identified as a new series of mixed dopamine D(2)/D(4) receptor antagonists. This series featured a rigid tricyclic ring system as an important pharmacophore core structure for high binding affinity. Molecular modeling studies are also described.
authors.affiliation: Neurogen Corporation, 35 Northeast Industrial Road, Branford, CT 06405, USA. hzhao@nrgn.com
authors.forename: He
authors.initials: H
authors.lastname: Zhao
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Zhang
authors.forename: Kevin
authors.initials: K
authors.lastname: Hodgetts
authors.forename: Andrew
authors.initials: A
authors.lastname: Thurkauf
authors.forename: Jack
authors.initials: J
authors.lastname: Hammer
authors.forename: Jayaraman
authors.initials: J
authors.lastname: Chandrasekhar
authors.forename: Andrzej
authors.initials: A
authors.lastname: Kieltyka
authors.forename: Robbin
authors.initials: R
authors.lastname: Brodbeck
authors.forename: Stanislaw
authors.initials: S
authors.lastname: Rachwal
authors.forename: Renee
authors.initials: R
authors.lastname: Primus
authors.forename: Charles
authors.initials: C
authors.lastname: Manly
mesh_terms: D065127:Dopamine D2 Receptor Antagonists; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D006801:Humans; D007211:Indoles / Q000138:chemical synthesis* / Q000494:pharmacology*; D008958:Models, Molecular; D009010:Monte Carlo Method; D011485:Protein Binding; D011869:Radioligand Assay; D050638:Receptors, Dopamine D4; D013329:Structure-Activity Relationship
chemical_list: C493599:DRD4 protein, human; D065127:Dopamine D2 Receptor Antagonists; D007211:Indoles; D050638:Receptors, Dopamine D4