Abstract

ADME SCREENING OF NOVEL SPIROAZETIDIN-2-ONES TETHERED WITH FURANS

Rajala Srikala* and Medepalli Narayana Babu

ABSTRACT

ADME screening of 1-(substituted phenyl)-3-chloro-5,9-bis(furan-2- ylmethylidene)-1-azaspiro[3.5]nonan-2-ones (3a - 3h) was carried out. Absorption, Distribution, Metabolism and Excretion properties along with Human Intestinal Absorption (HIA) and Blood Brain Barrier (BBB) plots were studied. The profiles of these compounds were generated by using DS Accord for Excel (ADME screening). The chemical structures of the derivatives were given as an input and a desired predictor was selected. DS Accord for Excel provides methods for assessing the disposition and potential toxicity of a ligand within an organism. In addition, we can apply specific rules to remove ligands that are not likely drug-like, unsuitable leads, etc. based on the presence or absence and frequency of certain chemical groups.

Keywords: Spiro, azetidin-2-ones, Furan, ADME screening, Accord for Excel.