Jump to main content
Jump to site search

Issue 9, 2012
Previous Article Next Article

A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects

Author affiliations

Abstract

A matched molecular pair analysis (MMPA) was used to study the classic medicinal chemistry transformation of a di-substituted benzene into a heterocyclic ring. Matched pairs were identified for 45 heterocyclic transforms (5 and 6 membered rings) and in vitro human microsomal stability analysed. Of these, 12 transforms showed significant beneficial increase in stability, suggesting these heterocycles as preferred changes during compound optimisation.

Graphical abstract: A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 12 Jun 2012, accepted on 11 Jul 2012 and first published on 16 Jul 2012


Article type: Concise Article
DOI: 10.1039/C2MD20155K
Citation: Med. Chem. Commun., 2012,3, 1164-1169
  •   Request permissions

    A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for heterocyclic replacements of di-substituted benzene containing compounds – identification of those isosteres more likely to have beneficial effects

    A. G. Dossetter, A. Douglas and C. O'Donnell, Med. Chem. Commun., 2012, 3, 1164
    DOI: 10.1039/C2MD20155K

Search articles by author