Using the Golden Triangle to optimize clearance and oral absorption
Using the Golden Triangle to optimize clearance and oral absorption
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DOI：
10.1016/j.bmcl.2009.08.045
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发表时间：
2009-10-01
影响因子：
2.7
通讯作者：
Edwards, Martin
中科院分区：
文献类型：
--
作者：
Johnson, Ted W.;Dress, Klaus R.;Edwards, Martin
The Golden Triangle is a visualization tool developed from in vitro permeability, in vitro clearance and computational data designed to aid medicinal chemists in achieving metabolically stable, permeable and potent drug candidates. Classifying compounds as permeable and stable and plotting molecular weight (MW) versus octanol: buffer (pH 7.4) distribution coefficients (log D) or estimated octanol: buffer (pH 7.4) distribution coefficients (elog D) reveals useful trends. Analysis of at least two orthogonal trends, such as permeability and clearance, can be extremely effective in balancing and optimizing multiple properties. In addition, molecular weight and log D impact potency-efficiency calculations, allowing potency, clearance and permeability to be optimized simultaneously. (C) 2009 Elsevier Ltd. All rights reserved.
