Literature DB >> 18691886

Physiochemical drug properties associated with in vivo toxicological outcomes.

Jason D Hughes1, Julian Blagg, David A Price, Simon Bailey, Gary A Decrescenzo, Rajesh V Devraj, Edmund Ellsworth, Yvette M Fobian, Michael E Gibbs, Richard W Gilles, Nigel Greene, Enoch Huang, Teresa Krieger-Burke, Jens Loesel, Travis Wager, Larry Whiteley, Yao Zhang.   

Abstract

Relationships between physicochemical drug properties and toxicity were inferred from a data set consisting of animal in vivo toleration (IVT) studies on 245 preclinical Pfizer compounds; an increased likelihood of toxic events was found for less polar, more lipophilic compounds. This trend held across a wide range of types of toxicity and across a broad swath of chemical space.

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Year:  2008        PMID: 18691886     DOI: 10.1016/j.bmcl.2008.07.071

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  125 in total

1.  P2X receptor antagonists for pain management: examination of binding and physicochemical properties.

Authors:  Rebecca J Gum; Brian Wakefield; Michael F Jarvis
Journal:  Purinergic Signal       Date:  2011-11-16       Impact factor: 3.765

2.  Drug discovery: Chemical beauty contest.

Authors:  Paul Leeson
Journal:  Nature       Date:  2012-01-25       Impact factor: 49.962

Review 3.  Finding the sweet spot: the role of nature and nurture in medicinal chemistry.

Authors:  Michael M Hann; György M Keserü
Journal:  Nat Rev Drug Discov       Date:  2012-04-30       Impact factor: 84.694

Review 4.  The influence of the 'organizational factor' on compound quality in drug discovery.

Authors:  Paul D Leeson; Stephen A St-Gallay
Journal:  Nat Rev Drug Discov       Date:  2011-09-30       Impact factor: 84.694

5.  Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes.

Authors:  Travis T Wager; Ramalakshmi Y Chandrasekaran; Xinjun Hou; Matthew D Troutman; Patrick R Verhoest; Anabella Villalobos; Yvonne Will
Journal:  ACS Chem Neurosci       Date:  2010-03-25       Impact factor: 4.418

6.  Amphiphile regulation of ion channel function by changes in the bilayer spring constant.

Authors:  Jens A Lundbaek; Roger E Koeppe; Olaf S Andersen
Journal:  Proc Natl Acad Sci U S A       Date:  2010-08-16       Impact factor: 11.205

7.  Moving beyond rules: the development of a central nervous system multiparameter optimization (CNS MPO) approach to enable alignment of druglike properties.

Authors:  Travis T Wager; Xinjun Hou; Patrick R Verhoest; Anabella Villalobos
Journal:  ACS Chem Neurosci       Date:  2010-03-25       Impact factor: 4.418

8.  Novel 1,2-dihydroquinazolin-2-ones: Design, synthesis, and biological evaluation against Trypanosoma brucei.

Authors:  ThanhTruc Pham; Madeline Walden; Christopher Butler; Rosario Diaz-Gonzalez; Guiomar Pérez-Moreno; Gloria Ceballos-Pérez; Veronica Gomez-Pérez; Raquel García-Hernández; Henry Zecca; Emma Krakoff; Brian Kopec; Ogar Ichire; Caden Mackenzie; Marika Pitot; Luis Miguel Ruiz; Francisco Gamarro; Dolores González-Pacanowska; Miguel Navarro; Amy B Dounay
Journal:  Bioorg Med Chem Lett       Date:  2017-07-11       Impact factor: 2.823

9.  Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).

Authors:  Catherine White; Meredeth A McGowan; Hua Zhou; Nunzio Sciammetta; Xavier Fradera; Jongwon Lim; Elizabeth M Joshi; Christine Andrews; Elliott B Nickbarg; Phillip Cowley; Sarah Trewick; Martin Augustin; Konstanze von Köenig; Charles A Lesburg; Karin Otte; Ian Knemeyer; Hyun Woo; Wensheng Yu; Mangeng Cheng; Peter Spacciapoli; Prasanthi Geda; Xuelei Song; Nadya Smotrov; Patrick Curran; Mee Ra Heo; Pravien Abeywickrema; J Richard Miller; David Jonathan Bennett; Yongxin Han
Journal:  ACS Med Chem Lett       Date:  2020-03-10       Impact factor: 4.345

Review 10.  The significance of acid/base properties in drug discovery.

Authors:  David T Manallack; Richard J Prankerd; Elizabeth Yuriev; Tudor I Oprea; David K Chalmers
Journal:  Chem Soc Rev       Date:  2013-01-21       Impact factor: 54.564

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