The developability of heteroaromatic and heteroaliphatic rings - do some have a better pedigree as potential drug molecules than others?

被引：154

作者：

Ritchie, Timothy J. ^{[1
]}

Macdonald, Simon J. F. ^{[2
]}

Peace, Simon ^{[2
]}

Pickett, Stephen D. ^{[3
]}

Luscombe, Christopher N. ^{[3
]}

机构：

[1] TJR Chem, I-21020 Ranco, VA, Italy

[2] GlaxoSmithKline Med Res Ctr, Resp CEDD, Stevenage SG1 2NY, Herts, England

[3] GlaxoSmithKline Med Res Ctr, Computat & Struct Chem, Stevenage SG1 2NY, Herts, England

来源：

MEDCHEMCOMM | 2012年 / 3卷 / 09期

关键词：

MEDICINAL CHEMISTRY; DISCOVERY; LIPOPHILICITY; PAIRS; SET;

D O I：

10.1039/c2md20111a

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Aqueous solubility, protein binding and CYP450 inhibition data for compounds containing a variety of heteroaromatic and heteroaliphatic rings were analysed and compared to determine which ring types fared best and worst in these developability screens. The results suggest that certain heterorings are generally more developable than others: how this information may be used and some caveats to be borne in mind are discussed.

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收藏

页码：1062 / 1069

页数：8

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