Examination of the computed molecular properties of compounds selected for clinical development.

Abstract:

:We have conducted a systematic evaluation of the calculated molecular properties of compounds in clinical development and have found that the development process selects for compounds that have certain computed physical properties. In particular, as the stage of development progresses, compounds that are advanced have lower calculated octanollwater partition coefficient (ClogP), polar surface area, and molecular weight. The findings of this study provide guidance for combinatorial library design and lead selection, which may enhance the chance for ultimate success in lead optimization.

journal_name

Biotechniques

journal_title

BioTechniques

authors

Blake JF

subject

Has Abstract

pub_date

2003-06-01 00:00:00

pages

16-20

eissn

0736-6205

issn

1940-9818

journal_volume

Suppl

pub_type

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