The developability of heteroaromatic and heteroaliphatic rings – do some have a better pedigree as potential drug molecules than others?
- 1 January 2012
- journal article
- Published by Royal Society of Chemistry (RSC) in MedChemComm
- Vol. 3 (9), 1062-1069
- https://doi.org/10.1039/c2md20111a
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.Keywords
This publication has 25 references indexed in Scilit:
- Matched Molecular Pairs as a Medicinal Chemistry ToolJournal of Medicinal Chemistry, 2011
- Improving Drug Candidates by Design: A Focus on Physicochemical Properties As a Means of Improving Compound Disposition and SafetyChemical Research in Toxicology, 2011
- The productivity crisis in pharmaceutical R&DNature Reviews Drug Discovery, 2011
- The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring typesDrug Discovery Today, 2011
- Impact of ion class and time on oral drug molecular propertiesMedChemComm, 2010
- Lipophilicity in drug discoveryExpert Opinion on Drug Discovery, 2010
- Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical SuccessJournal of Medicinal Chemistry, 2009
- The impact of aromatic ring count on compound developability – are too many aromatic rings a liability in drug design?Drug Discovery Today, 2009
- Straightforward Recursive Partitioning Model for Discarding Insoluble Compounds in the Drug Discovery ProcessJournal of Medicinal Chemistry, 2008
- Generation of a Set of Simple, Interpretable ADMET Rules of ThumbJournal of Medicinal Chemistry, 2008