Literature DB >> 19500981

Rapid assessment of a novel series of selective CB(2) agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis.

Thomas Ryckmans1, Martin P Edwards, Val A Horne, Ana Monica Correia, Dafydd R Owen, Lisa R Thompson, Isabelle Tran, Michelle F Tutt, Tim Young.   

Abstract

A series of libraries were designed using the 1-(cyclopropylmethyl)-2-alkyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium templates 2a-b, and Sulfonamide derivatives 11a-n proved to be potent agonists of the CB(2) receptor. Analysis of the Lipophilic Efficiency (LipE) of potent compounds provided new insight for the design of potent, metabolically stable CB2 agonists.

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Year:  2009        PMID： 19500981     DOI： 10.1016/j.bmcl.2009.05.062

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


  41 in total

Review 1.  Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2009.

Authors:  Roland E Dolle; Bertrand Le Bourdonnec; Karin Worm; Guillermo A Morales; Craig J Thomas; Wei Zhang
Journal:  J Comb Chem       Date:  2010-10-05

2.  Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.

Authors:  Shin-Ichiro Hattori; Hironori Hayashi; Haydar Bulut; Kalapala Venkateswara Rao; Prasanth R Nyalapatla; Kazuya Hasegawa; Manabu Aoki; Arun K Ghosh; Hiroaki Mitsuya
Journal:  Antimicrob Agents Chemother       Date:  2019-05-24       Impact factor: 5.191

3.  Design, Synthesis, Molecular Modeling, and Biological Evaluation of Novel Amine-based Histone Deacetylase Inhibitors.

Authors:  Hazem Abdelkarim; Raghupathi Neelarapu; Antonett Madriaga; Aditya S Vaidya; Irida Kastrati; Bhargava Karumudi; Yue-Ting Wang; Taha Y Taha; Gregory R J Thatcher; Jonna Frasor; Pavel A Petukhov
Journal:  ChemMedChem       Date:  2017-11-30       Impact factor: 3.466

4.  Discovery of Orally Bioavailable Selective Inhibitors of the Sodium-Phosphate Cotransporter NaPi2a (SLC34A1).

Authors:  Kevin J Filipski; Matthew F Sammons; Samit K Bhattacharya; Jane Panteleev; Janice A Brown; Paula M Loria; Markus Boehm; Aaron C Smith; Andre Shavnya; Edward L Conn; Kun Song; Yan Weng; Carie Facemire; Harald Jüppner; Valerie Clerin
Journal:  ACS Med Chem Lett       Date:  2018-04-12       Impact factor: 4.345

5.  Assessing the lipophilicity of fragments and early hits.

Authors:  Paul N Mortenson; Christopher W Murray
Journal:  J Comput Aided Mol Des       Date:  2011-05-26       Impact factor: 3.686

6.  Design of Pyridopyrazine-1,6-dione γ-Secretase Modulators that Align Potency, MDR Efflux Ratio, and Metabolic Stability.

Authors:  Martin Pettersson; Douglas S Johnson; John M Humphrey; Todd W Butler; Christopher W Am Ende; Benjamin A Fish; Michael E Green; Gregory W Kauffman; Patrick B Mullins; Christopher J O'Donnell; Antonia F Stepan; Cory M Stiff; Chakrapani Subramanyam; Tuan P Tran; Beth Cooper Vetelino; Eddie Yang; Longfei Xie; Kelly R Bales; Leslie R Pustilnik; Stefanus J Steyn; Kathleen M Wood; Patrick R Verhoest
Journal:  ACS Med Chem Lett       Date:  2015-04-03       Impact factor: 4.345

7.  Creating a Virtual Assistant for Medicinal Chemistry.

Authors:  Lewis R Vidler; Matthew P Baumgartner
Journal:  ACS Med Chem Lett       Date:  2019-06-07       Impact factor: 4.345

8.  MK-7622: A First-in-Class M1 Positive Allosteric Modulator Development Candidate.

Authors:  Douglas C Beshore; Christina N Di Marco; Ronald K Chang; Thomas J Greshock; Lei Ma; Marion Wittmann; Matthew A Seager; Kenneth A Koeplinger; Charles D Thompson; Joy Fuerst; George D Hartman; Mark T Bilodeau; William J Ray; Scott D Kuduk
Journal:  ACS Med Chem Lett       Date:  2018-04-30       Impact factor: 4.345

9.  Ligand efficiency metrics considered harmful.

Authors:  Peter W Kenny; Andrei Leitão; Carlos A Montanari
Journal:  J Comput Aided Mol Des       Date:  2014-06-05       Impact factor: 3.686

10.  Enthalpy screen of drug candidates.

Authors:  Arne Schön; Ernesto Freire
Journal:  Anal Biochem       Date:  2016-08-25       Impact factor: 3.365
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