Optimization of ligand and lipophilic efficiency to identify an in vivo active furano-pyrimidine Aurora kinase inhibitor.

Abstract

Ligand efficiency (LE) and lipophilic efficiency (LipE) are two important indicators of "drug-likeness", which are dependent on the molecule's activity and physicochemical properties. We recently reported a furano-pyrimidine Aurora kinase inhibitor 4 (LE = 0.25; LipE = 1.75), with potent activity in vitro; however, 4 was inactive in vivo. On the basis of… (More)
DOI: 10.1021/jm4006059

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Cite this paper

@article{Shiao2013OptimizationOL, title={Optimization of ligand and lipophilic efficiency to identify an in vivo active furano-pyrimidine Aurora kinase inhibitor.}, author={Hui-Yi Shiao and Mohane Selvaraj Coumar and Chun-Wei Chang and Yi-Yu Ke and Ya-Hui Chi and Chang-Ying Chu and Hsu-Yi Sun and Chun-Hwa Chen and Wen-Hsing Lin and Ka-Shu Fung and Po-Chu Kuo and Chin-Ting Huang and Kai-Yen Chang and Cheng-Tai Lu and John T. A. Hsu and C. Chen and Weir-Torn Jiaang and Yu-sheng Chao and Hsing-Pang Hsieh}, journal={Journal of medicinal chemistry}, year={2013}, volume={56 13}, pages={5247-60} }