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SAR exploration at the C-3 position of tetrahydro-β-carboline sstr3 antagonists.

Authors :
He S
Dobbelaar PH
Guo L
Ye Z
Liu J
Jian T
Truong Q
Shah SK
Du W
Qi H
Bakshi RK
Hong Q
Dellureficio JD
Sherer E
Pasternak A
Feng Z
Reibarkh M
Lin M
Samuel K
Reddy VB
Mitelman S
Tong SX
Chicchi GG
Tsao KL
Trusca D
Wu M
Shao Q
Trujillo ME
Fernandez G
Nelson D
Bunting P
Kerr J
Fitzgerald P
Morissette P
Volksdorf S
Eiermann GJ
Li C
Zhang BB
Howard AD
Zhou YP
Nargund RP
Hagmann WK
Source :
Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2016 Mar 15; Vol. 26 (6), pp. 1529-1535. Date of Electronic Publication: 2016 Feb 10.
Publication Year :
2016

Abstract

MK-4256, a tetrahydro-β-carboline sstr3 antagonist, was discontinued due to a cardiovascular (CV) adverse effect observed in dogs. Additional investigations revealed that the CV liability (QTc prolongation) was caused by the hERG off-target activity of MK-4256 and was not due to sstr3 antagonism. In this Letter, we describe our extensive SAR effort at the C3 position of the tetrahydro-β-carboline structure. This effort resulted in identification of 5-fluoro-pyridin-2-yl as the optimal substituent on the imidazole ring to balance sstr3 activity and the hERG off-target liability.<br /> (Copyright © 2016 Elsevier Ltd. All rights reserved.)

Details

Language :
English
ISSN :
1464-3405
Volume :
26
Issue :
6
Database :
MEDLINE
Journal :
Bioorganic & medicinal chemistry letters
Publication Type :
Academic Journal
Accession number :
26898814
Full Text :
https://doi.org/10.1016/j.bmcl.2016.02.022