Journal of Medicinal Chemistry p. 4010 - 4014 (2012)
Update date:2022-08-05
Topics:
Cavalli, Andrea
Buonfiglio, Rosa
Ianni, Cristina
Masetti, Matteo
Ceccarini, Luisa
Caves, Rachel
Chang, Michael W. Y.
Mitcheson, John S.
Roberti, Marinella
Recanatini, Maurizio
Molecular knowledge of hERG blocking liability can offer the possibility of optimizing lead compounds in a way that eliminates potentially lethal side effects. In this study, we computationally designed, synthesized, and tested a small series of minimally structured molecules. Some of these compounds were remarkably potent against hERG (6, IC50 = 2.4 nM), allowing us to identify the minimal structural requirements for hERG blocking liability.
Shanghai Dianyang Industry Co.,ltd
Contact:+86 21 6492 4669
Address:Chejing RD, Songjiang District, Shanghai, China
Shijiazhuang Haotian Chemical Co., Ltd.
Contact:86-311-85044374
Address:293 Donggang Road
Contact:+33-5-34012600
Address:28 ZA des Pignès
SHENYANG COMEBOARD TECHNOLOGY CO., LTD
Contact:+86-24-25724626
Address:Room2210,Tianbao International Building,No.8-1 Weigong South Street,Tiexi District,Shenyang,China
website:http://www.shochem.com
Contact:021-50800795
Address:No.1043, Halei Rd, Zhangjiang Hi-Tech Park, Shanghai, Postcode 201203, China
Doi:10.1002/ejoc.201101351
(2012)Doi:10.1080/00397911.2010.529227
(2012)Doi:10.1039/c2cc30350g
(2012)Doi:10.1021/jm300015m
(2012)Doi:10.1016/j.bmcl.2012.02.082
(2012)Doi:10.1016/j.bmcl.2012.02.086
(2012)
