The Walter and Eliza Hall Institute of Medical Research, 1G Royal Parade, Parkville, Victoria 3052, Australia.
J Med Chem. 2010 Apr 8;53(7):2719-40. doi: 10.1021/jm901137j.
This report describes a number of substructural features which can help to identify compounds that appear as frequent hitters (promiscuous compounds) in many biochemical high throughput screens. The compounds identified by such substructural features are not recognized by filters commonly used to identify reactive compounds. Even though these substructural features were identified using only one assay detection technology, such compounds have been reported to be active from many different assays. In fact, these compounds are increasingly prevalent in the literature as potential starting points for further exploration, whereas they may not be.
本报告描述了一些亚结构特征，这些特征可以帮助识别在许多生化高通量筛选中频繁出现的化合物（混杂化合物）。通过这种亚结构特征识别出的化合物不能被通常用于识别反应性化合物的过滤器所识别。尽管这些亚结构特征仅使用一种检测技术进行了鉴定，但已有报道称这些化合物在许多不同的检测中都具有活性。事实上，这些化合物在文献中作为进一步探索的潜在起点越来越普遍，但实际上可能并非如此。
