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Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity.

Abstract：

:Pre-clinical investigation of some aryl-piperidinyl ether histamine H3 receptor antagonists revealed a strong hERG binding. To overcome this issue, we have developed a QSAR model specially dedicated to H3 receptor ligands. This model was designed to be directly applicable in medicinal chemistry with no need of molecular modeling. The resulting recursive partitioning trees are robust (80-85% accuracy), but also simple and comprehensible. A novel promising lead emerged from our work and the structure-activity relationships are presented.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Levoin N,Labeeuw O,Calmels T,Poupardin-Olivier O,Berrebi-Bertrand I,Lecomte JM,Schwartz JC,Capet M

doi

10.1016/j.bmcl.2011.07.006

subject

Has Abstract

pub_date

2011-09-15 00:00:00

pages

5378-83

issue

18

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(11)00924-3

journal_volume

21

pub_type

杂志文章

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