Charting the chemical space around the (iso)indoline scaffold, a comprehensive approach towards multitarget directed ligands.

Bioorganic & Medicinal Chemistry Letters(2016)

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摘要
Within the framework of orthosteric G protein coupled receptor (GPCR) polypharmacology herein we report the systematic elaboration and thorough evaluation of a data matrix generated by sampling the chemical space around a common 5,6-fused bicyclic heteroaromatic template applying characteristic pharmacophore elements of central nervous system (CNS) relevant aminergic GPCR ligands.
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关键词
Polypharmacology,Multitarget directed ligands,Designed multiple ligands,Serotonin 5-HT6 receptors,Dopamine D2/D3 receptors,Histamine H3 receptors
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