期刊
BIOORGANIC & MEDICINAL CHEMISTRY
卷 18, 期 12, 页码 4405-4414出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2010.04.077
关键词
ADMET; In vitro HLM stability; In vitro clearance; Matched molecular pairs
An analysis of in vitro human liver microsomal turnover assay results from a large dataset (similar to 75 K) of experimental compounds tested is presented. Combined with an analysis of small (<6 Ha) substituents on known drugs and existing published results a new set of 29 substituents (consensus) is proposed to increase stability and probe SAR (an enhanced `Topliss set'). In addition a different group of 28 substituents are identified as unlikely to change in vitro HLM stability, and a further set of compounds focuses on increasing HLM stability only. (C) 2010 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据