Referenced in: none

Automatically associated channels: Kv11.1

Title: Quantitative structure-activity relationship of phenoxyphenyl-methanamine compounds with 5HT2A, SERT, and hERG activities.

Authors: Scot Mente, Randall Gallaschun, Anne Schmidt, Lorrie Lebel, Michelle Vanase-Frawley, Anton Fliri

Journal, date & volume: Bioorg. Med. Chem. Lett., 2008 Dec 1 , 18, 6088-92

PubMed link: http://www.ncbi.nlm.nih.gov/pubmed/18948001

Abstract
QSAR models have been used to evaluate activities for compounds in the phenoxyphenyl-methanamine (PPMA) class of compounds. These models utilize Hammett-type donating-withdrawing substituent values as well as simple parameters to describe substituent size and elucidate the SAR of the 'A' and 'B' rings. Using this methodology, intuitive QSAR relationships were found for the three biological activities with R(2) values of 0.73, 0.45, and 0.58 for 5HT(2A), SerT, and hERG activities.