Discovery and preliminary structure-activity relationship of 1H-indazoles with promising indoleamine-2,3-dioxygenase 1 (IDO1) inhibition properties

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• 作者：Shan Qian^a ; ^{qians33@163.com} ; Tao He^b ; Wei Wang^a ; Yanying He^a ; Man Zhang^a ; Lingling Yang^a ; Guobo Li^a ; Zhouyu Wang^b ; ^{zhouyuwang77@gmail.com}
• 关键词：Indoleamine 2 ; 3-dioxygenase 1 (IDO1) ; 1H-Indazoles ; Cancer immunotherapy ; Small-molecular inhibitors ; Rational drug design
• 刊名：Bioorganic & Medicinal Chemistry
• 出版年：2016
• 出版时间：1 December 2016
• 年：2016
• 卷：24
• 期：23
• 页码：6194-6205
• 全文大小：3466 K
• 卷排序：24

文摘

1H-Indazole was a novel key pharmacophore with potent IDO1 inhibitory activity. Compound 2g exhibited the highest activity with an IC50 value of 5.3 μM. The interactions with heme ion and hydrophobic Pocket A and B are important. The substituents at the both 4-position and 6-position largely affect activity.