Issue 9, 2012
From the journal:

MedChemComm

The developability of heteroaromatic and heteroaliphatic rings – do some have a better pedigree as potential drug molecules than others?

Timothy J. Ritchie,*a   Simon J. F. Macdonald,*b   Simon Peace,b   Stephen D. Pickettc  and  Christopher N. Luscombec  

* Corresponding authors

a TJR-Chem, Via Alberto 34C, 21020 Ranco (VA), Italy
E-mail: tim.j.ritchie@gmail.com
Fax: +39 0331 975020
Tel: +39 0331 975020

b Respiratory CEDD, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, UK
E-mail: simon.jf.macdonald@gsk.com

c Computational and Structural Chemistry, GlaxoSmithKline Medicines Research Centre, Gunnels Wood Road, Stevenage SG1 2NY, UK

Abstract

Aqueous solubility, protein binding and CYP450 inhibition data for compounds containing a variety of heteroaromatic and heteroaliphatic rings were analysed and compared to determine which ring types fared best and worst in these developability screens. The results suggest that certain heterorings are generally more developable than others: how this information may be used and some caveats to be borne in mind are discussed.

Graphical abstract: The developability of heteroaromatic and heteroaliphatic rings – do some have a better pedigree as potential drug molecules than others?

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Article information

DOI
https://doi.org/10.1039/C2MD20111A
Article type
Concise Article
Submitted
02 May 2012
Accepted
12 Jun 2012
First published
18 Jun 2012

Med. Chem. Commun., 2012,3, 1062-1069

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The developability of heteroaromatic and heteroaliphatic rings – do some have a better pedigree as potential drug molecules than others?

T. J. Ritchie, S. J. F. Macdonald, S. Peace, S. D. Pickett and C. N. Luscombe, Med. Chem. Commun., 2012, 3, 1062 DOI: 10.1039/C2MD20111A

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