2. Academic Validation
  3. Quantitative structure-activity relationship of phenoxyphenyl-methanamine compounds with 5HT2A, SERT, and hERG activities

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

  • Bioorg Med Chem Lett. 2008 Dec 1;18(23):6088-92. doi: 10.1016/j.bmcl.2008.10.028.
Scot Mente 1,  Randall Gallaschun,  Anne Schmidt,  Lorrie Lebel,  Michelle Vanase-Frawley,  Anton Fliri
Affiliations

Affiliation

  • 1 Pfizer Global Research and Development, Groton Laboratories, 1 Eastern Point Road, Groton, CT 06355, USA. scot.mente@pfizer.com
PMID: 18948001 DOI: 10.1016/j.bmcl.2008.10.028
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.

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