标题
Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies
作者
关键词
-
出版物
JOURNAL OF MEDICINAL CHEMISTRY
Volume -, Issue -, Pages -
出版商
American Chemical Society (ACS)
发表日期
2021-05-14
DOI
10.1021/acs.jmedchem.1c00416
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- A Decade of FDA-Approved Drugs (2010–2019): Trends and Future Directions
- (2021) Dean G. Brown et al. JOURNAL OF MEDICINAL CHEMISTRY
- Trends in Hit-to-Lead Optimization Following DNA-Encoded Library Screens
- (2021) Christopher A. Reiher et al. ACS Medicinal Chemistry Letters
- Updating the portfolio of physicochemical descriptors related to permeability in the Beyond the Rule of 5 chemical space
- (2020) Giuseppe Ermondi et al. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
- Fragment-to-Lead Medicinal Chemistry Publications in 2018
- (2020) Daniel A. Erlanson et al. JOURNAL OF MEDICINAL CHEMISTRY
- Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs
- (2020) Benjamin Jeffries et al. JOURNAL OF MEDICINAL CHEMISTRY
- Blocking the CGRP Pathway for Acute and Preventive Treatment of Migraine: The Evolution of Success
- (2020) Gene M. Dubowchik et al. JOURNAL OF MEDICINAL CHEMISTRY
- Utility of Physicochemical Properties for the Prediction of Toxicological Outcomes: Takeda Perspective
- (2020) Tomoya Yukawa et al. ACS Medicinal Chemistry Letters
- Facts, Patterns and Principles in Drug Discovery: appraising the Rule of 5 with measured physicochemical data.
- (2020) Christopher P. Tinworth et al. JOURNAL OF MEDICINAL CHEMISTRY
- Chemists: AI is here, unite to get the benefits
- (2020) Edward J. Griffen et al. JOURNAL OF MEDICINAL CHEMISTRY
- Evaluation of 3-Dimensionality in Approved and Experimental Drug Space
- (2020) Kathleen E. Prosser et al. ACS Medicinal Chemistry Letters
- Optimising proteolysis-targeting chimeras (PROTACs) for oral drug delivery: a drug metabolism and pharmacokinetics perspective
- (2020) Andy Pike et al. DRUG DISCOVERY TODAY
- Integrating the Impact of Lipophilicity on Potency and Pharmacokinetic Parameters Enables the Use of Diverse Chemical Space during Small Molecule Drug Optimization
- (2020) Randy R. Miller et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structure-Based Drug Discovery of N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2′-oxo-1′,2′-dihydrospiro[piperidine-4,4′-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine
- (2020) Sarah J. Bucknell et al. JOURNAL OF MEDICINAL CHEMISTRY
- A Turing Test for Molecular Generators
- (2020) Jacob T. Bush et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structural Approach to Assessing the Innovativeness of New Drugs Finds Accelerating Rate of Innovation
- (2020) Todd J. Wills et al. ACS Medicinal Chemistry Letters
- Fragment-to-Lead Medicinal Chemistry Publications in 2019
- (2020) Wolfgang Jahnke et al. JOURNAL OF MEDICINAL CHEMISTRY
- The nature of ligand efficiency
- (2019) Peter W. Kenny Journal of Cheminformatics
- Free Ligand 1D NMR Conformational Signatures to Enhance Structure Based Drug Design of a Mcl-1 inhibitor (AZD5991) and other Synthetic Macrocycles
- (2019) Amber Y S Balazs et al. JOURNAL OF MEDICINAL CHEMISTRY
- Why Some Targets Benefit from beyond Rule of Five Drugs
- (2019) Megan Egbert et al. JOURNAL OF MEDICINAL CHEMISTRY
- Are We Opening the Door to a New Era of Medicinal Chemistry or Being Collapsed to a Chemical Singularity?
- (2019) Yan A. Ivanenkov et al. JOURNAL OF MEDICINAL CHEMISTRY
- Lowering Lipophilicity by Adding Carbon: AzaSpiroHeptanes, a logD Lowering Twist
- (2019) Sébastien L. Degorce et al. ACS Medicinal Chemistry Letters
- Off-target toxicity is a common mechanism of action of cancer drugs undergoing clinical trials
- (2019) Ann Lin et al. Science Translational Medicine
- The Blood–Brain Barrier (BBB) Score
- (2019) Mayuri Gupta et al. JOURNAL OF MEDICINAL CHEMISTRY
- Promiscuity of in Vitro Secondary Pharmacology Assays and Implications for Lead Optimization Strategies
- (2019) Dean G. Brown et al. JOURNAL OF MEDICINAL CHEMISTRY
- Rethinking drug design in the artificial intelligence era
- (2019) Petra Schneider et al. NATURE REVIEWS DRUG DISCOVERY
- Practical application of ligand efficiency metrics in lead optimisation
- (2018) James S. Scott et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Impact of Physicochemical Properties on Dose and Hepatotoxicity of Oral Drugs
- (2018) Paul D. Leeson CHEMICAL RESEARCH IN TOXICOLOGY
- Mapping the Efficiency and Physicochemical Trajectories of Successful Optimizations
- (2018) Robert J. Young et al. JOURNAL OF MEDICINAL CHEMISTRY
- Where Do Recent Small Molecule Clinical Development Candidates Come From?
- (2018) Dean G. Brown et al. JOURNAL OF MEDICINAL CHEMISTRY
- Lipophilic Efficiency as an Important Metric in Drug Design
- (2018) Ted W. Johnson et al. JOURNAL OF MEDICINAL CHEMISTRY
- Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5
- (2018) Matteo Rossi Sebastiano et al. JOURNAL OF MEDICINAL CHEMISTRY
- Highlights of the Structure–Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530)
- (2018) Rolf Wagner et al. JOURNAL OF MEDICINAL CHEMISTRY
- Unexplored therapeutic opportunities in the human genome
- (2018) Tudor I. Oprea et al. NATURE REVIEWS DRUG DISCOVERY
- Lowering Lipophilicity by Adding Carbon: One-Carbon Bridges of Morpholines and Piperazines
- (2018) Sébastien L. Degorce et al. JOURNAL OF MEDICINAL CHEMISTRY
- Two Decades under the Influence of the Rule of Five and the Changing Properties of Approved Oral Drugs
- (2018) Michael D. Shultz JOURNAL OF MEDICINAL CHEMISTRY
- Lead-like Drugs: A Perspective
- (2018) Brian Raymer et al. JOURNAL OF MEDICINAL CHEMISTRY
- Expanding the medicinal chemistry synthetic toolbox
- (2018) Jonas Boström et al. NATURE REVIEWS DRUG DISCOVERY
- Lipophilic Permeability Efficiency Reconciles the Opposing Roles of Lipophilicity in Membrane Permeability and Aqueous Solubility
- (2018) Matthew R. Naylor et al. JOURNAL OF MEDICINAL CHEMISTRY
- ChEMBL: towards direct deposition of bioassay data
- (2018) David Mendez et al. NUCLEIC ACIDS RESEARCH
- Beyond the Rule of 5: Lessons Learned from AbbVie’s Drugs and Compound Collection
- (2017) David A. DeGoey et al. JOURNAL OF MEDICINAL CHEMISTRY
- Drug discovery effectiveness from the standpoint of therapeutic mechanisms and indications
- (2017) Hsin-Pei Shih et al. NATURE REVIEWS DRUG DISCOVERY
- Central Nervous System Multiparameter Optimization Desirability: Application in Drug Discovery
- (2016) Travis T. Wager et al. ACS Chemical Neuroscience
- Molecular inflation, attrition and the rule of five
- (2016) Paul D. Leeson ADVANCED DRUG DELIVERY REVIEWS
- Improving Drug Design: An Update on Recent Applications of Efficiency Metrics, Strategies for Replacing Problematic Elements, and Compounds in Nontraditional Drug Space
- (2016) Nicholas A. Meanwell CHEMICAL RESEARCH IN TOXICOLOGY
- A new paradigm for navigating compound property related drug attrition
- (2016) Patrick Barton et al. DRUG DISCOVERY TODAY
- Quality guidelines for oral drug candidates: dose, solubility and lipophilicity
- (2016) Martin K. Bayliss et al. DRUG DISCOVERY TODAY
- Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists’ Bread and Butter
- (2016) Nadine Schneider et al. JOURNAL OF MEDICINAL CHEMISTRY
- A comprehensive map of molecular drug targets
- (2016) Rita Santos et al. NATURE REVIEWS DRUG DISCOVERY
- Toxicology Strategies for Drug Discovery: Present and Future
- (2015) Eric A. G. Blomme et al. CHEMICAL RESEARCH IN TOXICOLOGY
- DataWarrior: An Open-Source Program For Chemistry Aware Data Visualization And Analysis
- (2015) Thomas Sander et al. Journal of Chemical Information and Modeling
- How Beyond Rule of 5 Drugs and Clinical Candidates Bind to Their Targets
- (2015) Bradley C. Doak et al. JOURNAL OF MEDICINAL CHEMISTRY
- The re-emergence of natural products for drug discovery in the genomics era
- (2015) Alan L. Harvey et al. NATURE REVIEWS DRUG DISCOVERY
- An analysis of the attrition of drug candidates from four major pharmaceutical companies
- (2015) Michael J. Waring et al. NATURE REVIEWS DRUG DISCOVERY
- Molecular Property Design: Does Everyone Get It?
- (2015) Paul D. Leeson et al. ACS Medicinal Chemistry Letters
- Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates
- (2014) Bradley Croy Doak et al. CHEMISTRY & BIOLOGY
- Ligand efficiency metrics considered harmful
- (2014) Peter W. Kenny et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Calcitonin Gene-Related Peptide Receptor Antagonists: New Therapeutic Agents for Migraine
- (2014) Ian M. Bell JOURNAL OF MEDICINAL CHEMISTRY
- High Throughput Method for the Indirect Detection of Intramolecular Hydrogen Bonding
- (2014) Gilles H. Goetz et al. JOURNAL OF MEDICINAL CHEMISTRY
- Physicochemical Descriptors of Aromatic Character and Their Use in Drug Discovery
- (2014) Timothy J. Ritchie et al. JOURNAL OF MEDICINAL CHEMISTRY
- Trends and Exceptions of Physical Properties on Antibacterial Activity for Gram-Positive and Gram-Negative Pathogens
- (2014) Dean G. Brown et al. JOURNAL OF MEDICINAL CHEMISTRY
- The discovery of first-in-class drugs: origins and evolution
- (2014) Jörg Eder et al. NATURE REVIEWS DRUG DISCOVERY
- The role of ligand efficiency metrics in drug discovery
- (2014) Andrew L. Hopkins et al. NATURE REVIEWS DRUG DISCOVERY
- EPSA: A Novel Supercritical Fluid Chromatography Technique Enabling the Design of Permeable Cyclic Peptides
- (2014) Gilles H. Goetz et al. ACS Medicinal Chemistry Letters
- Validity of Ligand Efficiency Metrics
- (2014) Christopher W. Murray et al. ACS Medicinal Chemistry Letters
- The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations
- (2013) Michael D. Shultz BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Contributions of Molecular Properties to Drug Promiscuity
- (2013) Ákos Tarcsay et al. JOURNAL OF MEDICINAL CHEMISTRY
- Comparability of Mixed IC50 Data – A Statistical Analysis
- (2013) Tuomo Kalliokoski et al. PLoS One
- The influence of lipophilicity in drug discovery and design
- (2012) John A Arnott et al. Expert Opinion on Drug Discovery
- Discovery of (5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): An Oral Calcitonin Gene-Related Peptide (CGRP) Antagonist in Clinical Trials for Treating Migraine
- (2012) Guanglin Luo et al. JOURNAL OF MEDICINAL CHEMISTRY
- Impact of Lipophilic Efficiency on Compound Quality
- (2012) Ákos Tarcsay et al. JOURNAL OF MEDICINAL CHEMISTRY
- Quantifying the chemical beauty of drugs
- (2012) G. Richard Bickerton et al. Nature Chemistry
- Finding the sweet spot: the role of nature and nurture in medicinal chemistry
- (2012) Michael M. Hann et al. NATURE REVIEWS DRUG DISCOVERY
- Improving Drug Candidates by Design: A Focus on Physicochemical Properties As a Means of Improving Compound Disposition and Safety
- (2011) Nicholas A. Meanwell CHEMICAL RESEARCH IN TOXICOLOGY
- Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity
- (2011) Robert J. Young et al. DRUG DISCOVERY TODAY
- Assessing the lipophilicity of fragments and early hits
- (2011) Paul N. Mortenson et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- What Do Medicinal Chemists Actually Make? A 50-Year Retrospective
- (2011) W. Patrick Walters et al. JOURNAL OF MEDICINAL CHEMISTRY
- The influence of the 'organizational factor' on compound quality in drug discovery
- (2011) Paul D. Leeson et al. NATURE REVIEWS DRUG DISCOVERY
- Probing the links between in vitro potency, ADMET and physicochemical parameters
- (2011) M. Paul Gleeson et al. NATURE REVIEWS DRUG DISCOVERY
- Molecular obesity, potency and other addictions in drug discovery
- (2011) Michael M. Hann MedChemComm
- The Chemical Basis of Pharmacology
- (2010) Michael J. Keiser et al. BIOCHEMISTRY
- The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types
- (2010) Timothy J. Ritchie et al. DRUG DISCOVERY TODAY
- Lipophilicity in drug discovery
- (2010) Michael J Waring Expert Opinion on Drug Discovery
- An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs
- (2010) Emanuele Perola JOURNAL OF MEDICINAL CHEMISTRY
- Impact of ion class and time on oral drug molecular properties
- (2010) Paul D. Leeson et al. MedChemComm
- Simple Size-Independent Measure of Ligand Efficiency
- (2009) J. Willem M. Nissink Journal of Chemical Information and Modeling
- Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
- (2009) Frank Lovering et al. JOURNAL OF MEDICINAL CHEMISTRY
- The influence of lead discovery strategies on the properties of drug candidates
- (2009) György M. Keserü et al. NATURE REVIEWS DRUG DISCOVERY
- Physiochemical drug properties associated with in vivo toxicological outcomes
- (2008) Jason D. Hughes et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Ligand Binding Efficiency: Trends, Physical Basis, and Implications
- (2008) Charles H. Reynolds et al. JOURNAL OF MEDICINAL CHEMISTRY
- Physicochemical Properties of Antibacterial Compounds: Implications for Drug Discovery
- (2008) Rosemarie O’Shea et al. JOURNAL OF MEDICINAL CHEMISTRY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More