(Q37940789)

25 August 2017

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title

The influence of the 'organizational factor' on compound quality in drug discovery (English)

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25 August 2017

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Paul D Leeson

1

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25 August 2017

Stephen A St-Gallay

series ordinal

2

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25 August 2017

publication date

30 September 2011

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Nature Reviews Drug Discovery

25 August 2017

published in

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25 August 2017

volume

10

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25 August 2017

issue

10

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25 August 2017

page(s)

749-765

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

25 August 2017

cites work

1 reference

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Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

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Modeling promiscuity based on in vitro safety pharmacology profiling data

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Lipophilicity in drug discovery

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Straightforward recursive partitioning model for discarding insoluble compounds in the drug discovery process.

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The impact of aromatic ring count on compound developability--are too many aromatic rings a liability in drug design?

21 January 2018

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The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types

21 January 2018

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Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity

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Escape from flatland: increasing saturation as an approach to improving clinical success

21 January 2018

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Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry

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Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles

21 January 2018

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Carrier-mediated cellular uptake of pharmaceutical drugs: an exception or the rule?

21 January 2018

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Targeting intestinal transporters for optimizing oral drug absorption

21 January 2018

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The evolution of synthetic oral drug properties.

21 January 2018

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A comparison of physiochemical property profiles of development and marketed oral drugs

21 January 2018

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Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules

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Characteristic physical properties and structural fragments of marketed oral drugs.

21 January 2018

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Is there a difference between leads and drugs? A historical perspective

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Molecular complexity and its impact on the probability of finding leads for drug discovery

21 January 2018

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Fragment-based drug design: how big is too big?

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Fragment-based drug discovery: what has it achieved so far?

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An analysis of the binding efficiencies of drugs and their leads in successful drug discovery programs

21 January 2018

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

21 January 2018

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

21 January 2018

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Automated selection of compounds with physicochemical properties to maximize bioavailability and druglikeness

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Impact of high-throughput screening in biomedical research

21 January 2018

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The rise of fragment-based drug discovery

21 January 2018

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Recent developments in fragment-based drug discovery

21 January 2018

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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design

21 January 2018

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Fragment-based discovery of the pyrazol-4-yl urea (AT9283), a multitargeted kinase inhibitor with potent aurora kinase activity

21 January 2018

1 reference

Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design

21 January 2018

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A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development

21 January 2018

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An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes.

21 January 2018

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Assessment of the consistency of medicinal chemists in reviewing sets of compounds.

21 January 2018

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Drug-like properties: guiding principles for design - or chemical prejudice?

21 January 2018

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Discovery and ADMET: Where are we now.

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21 January 2018

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21 January 2018

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Components of successful lead generation

21 January 2018

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Analysis of the reactions used for the preparation of drug candidate molecules

21 January 2018

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Factors determining the selection of organic reactions by medicinal chemists and the use of these reactions in arrays (small focused libraries).

21 January 2018

1 reference

The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates.

21 January 2018

1 reference

Structural diversity of organic chemistry. A scaffold analysis of the CAS Registry.

21 January 2018

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Heteroaromatic rings of the future.

21 January 2018

1 reference

How well do medicinal chemists learn from experience?

21 January 2018

1 reference

Learning lessons from drugs that have recently entered the market

21 January 2018

1 reference

The chemical basis of pharmacology

21 January 2018

1 reference

Lessons from 60 years of pharmaceutical innovation

21 January 2018

1 reference

Designing drugs to avoid toxicity

21 January 2018

1 reference

Structural alerts, reactive metabolites, and protein covalent binding: how reliable are these attributes as predictors of drug toxicity?

21 January 2018

1 reference

A review of the electrophilic reaction chemistry involved in covalent DNA binding

21 January 2018

1 reference

Managing the challenge of chemically reactive metabolites in drug development.

21 January 2018

1 reference

The resurgence of covalent drugs

21 January 2018

1 reference

Creativity, innovation and lean sigma: a controversial combination?

21 January 2018

1 reference

Drug discovery management, small is still beautiful: Why a number of companies get it wrong

21 January 2018

1 reference

The productivity crisis in pharmaceutical R&D.

21 January 2018

1 reference

Phase III and submission failures: 2007–2010

21 January 2018

1 reference

Trial watch: Phase II failures: 2008-2010.

21 January 2018

1 reference

Database systems for knowledge-based discovery

21 January 2018

1 reference

Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds

21 January 2018

1 reference

Selectively nonselective kinase inhibition: striking the right balance

21 January 2018

1 reference

Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules

21 January 2018

1 reference

Drug discovery: A question of library design

21 January 2018

1 reference

How to improve R&D productivity: the pharmaceutical industry's grand challenge

21 January 2018

1 reference

Evaluation of human pharmacokinetics, therapeutic dose and exposure predictions using marketed oral drugs

31 March 2020

1 reference

Generation of a set of simple, interpretable ADMET rules of thumb

31 March 2020

1 reference

Using an in vitro cytotoxicity assay to aid in compound selection for in vivo safety studies

31 March 2020

1 reference

Pharmacological promiscuity: dependence on compound properties and target specificity in a set of recent Roche compounds

31 March 2020

1 reference

Investigation of the Relationship between Topology and Selectivity for Druglike Molecules

31 March 2020

1 reference

Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination

31 March 2020

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Development of specific "drug-like property" rules for carboxylate-containing oral drug candidates

31 March 2020

1 reference

31 March 2020

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Are there differences between launched drugs, clinical candidates, and commercially available compounds?

31 March 2020

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The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds

31 March 2020

1 reference

The influence of lead discovery strategies on the properties of drug candidates

31 March 2020

1 reference

Dependence of molecular properties on proteomic family for marketed oral drugs

31 March 2020

1 reference

Ligand binding efficiency: trends, physical basis, and implications

31 March 2020

1 reference

Enthalpic Efficiency of Ligand Binding

31 March 2020

1 reference

Overcoming undesirable HERG potency of chemokine receptor antagonists using baseline lipophilicity relationships

31 March 2020

1 reference

Getting pharmaceutical R&D back on target

31 March 2020

1 reference

Deal watch: Valuation benefits of structure-enabled drug discovery

31 March 2020

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21959288

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The Design of Leadlike Combinatorial Libraries

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21959288

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21959288

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1038/NRD3552

1 reference

Dimensions Publication ID

25 August 2017

1019542495

0 references

1 reference