The influence of lipophilicity in drug discovery and design

Extension of the liquid chromatography/quantitative structure–property relationship method to assess the lipophilicity of neutral, acidic, basic and amphotheric drugs

(2012) Juan M. Pallicer et al.   JOURNAL OF CHROMATOGRAPHY A

Impact of Lipophilic Efficiency on Compound Quality

(2012) Ákos Tarcsay et al.   JOURNAL OF MEDICINAL CHEMISTRY

The successful quest for oral factor Xa inhibitors; learnings for all of medicinal chemistry?

(2011) Robert J. Young   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

Lipophilicity assessment of basic drugs (logPo/w determination) by a chromatographic method

(2011) Juan M. Pallicer et al.   JOURNAL OF CHROMATOGRAPHY A

What Do Medicinal Chemists Actually Make? A 50-Year Retrospective

(2011) W. Patrick Walters et al.   JOURNAL OF MEDICINAL CHEMISTRY

ADME Evaluation in Drug Discovery. 9. Prediction of Oral Bioavailability in Humans Based on Molecular Properties and Structural Fingerprints

(2011) Sheng Tian et al.   MOLECULAR PHARMACEUTICS

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

Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties

(2010) Travis T. Wager et al.   ACS Chemical Neuroscience

4-Methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors

(2010) Kevin K.-C. Liu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

(2010) Nigel Greene et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Phospholipidosis as a Function of Basicity, Lipophilicity, and Volume of Distribution of Compounds

(2010) Umesh M. Hanumegowda et al.   CHEMICAL RESEARCH IN TOXICOLOGY

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

(2010) Alan P. Hill et al.   DRUG DISCOVERY TODAY

Lipophilicity in drug discovery

(2010) Michael J Waring   Expert Opinion on Drug Discovery

Physicochemical Space for Optimum Oral Bioavailability: Contribution of Human Intestinal Absorption and First-Pass Elimination

(2010) Manthena V. S. Varma et al.   JOURNAL OF MEDICINAL CHEMISTRY

Design of Selective, ATP-Competitive Inhibitors of Akt

(2010) Kevin D. Freeman-Cook et al.   JOURNAL OF MEDICINAL CHEMISTRY

Lipophilicity and Its Relationship with Passive Drug Permeation

(2010) Xiangli Liu et al.   PHARMACEUTICAL RESEARCH

Automated Potentiometric Titrations in KCl/Water-Saturated Octanol: Method for Quantifying Factors Influencing Ion-Pair Partitioning

(2009) Robert A. Scherrer et al.   ANALYTICAL CHEMISTRY

Pyrazole NNRTIs 4: Selection of UK-453,061 (lersivirine) as a Development Candidate

(2009) Charles E. Mowbray et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Rapid assessment of a novel series of selective CB2 agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis

(2009) Thomas Ryckmans et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Using the Golden Triangle to optimize clearance and oral absorption

(2009) Ted W. Johnson et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Defining optimum lipophilicity and molecular weight ranges for drug candidates—Molecular weight dependent lower logD limits based on permeability

(2009) Michael J. Waring   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Synthesis and SAR of novel imidazoles as potent and selective cannabinoid CB2 receptor antagonists with high binding efficiencies

(2009) Jos H.M. Lange et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pharmacological Promiscuity: Dependence on Compound Properties and Target Specificity in a Set of Recent Roche Compounds

(2009) Jens-Uwe Peters et al.   ChemMedChem

Physicochemical drug properties associated within vivotoxicological outcomes: a review

(2009) David A Price et al.   Expert Opinion on Drug Metabolism & Toxicology

Physicochemical Determinants of Human Renal Clearance

(2009) Manthena V. S. Varma et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Basis for the Design of PPAR-γ Ligands: A Survey on Quantitative Structure- Activity Relationships

(2009) Costas Giaginis et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Biological characterization of AT7519, a small-molecule inhibitor of cyclin-dependent kinases, in human tumor cell lines

(2009) M. S. Squires et al.   MOLECULAR CANCER THERAPEUTICS

Soluble epoxide hydrolase as a therapeutic target for cardiovascular diseases

(2009) John D. Imig et al.   NATURE REVIEWS DRUG DISCOVERY

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

(2009) György M. Keserü et al.   NATURE REVIEWS DRUG DISCOVERY

Structure and function of the blood–brain barrier

(2009) N. Joan Abbott et al.   NEUROBIOLOGY OF DISEASE

Physiochemical drug properties associated with in vivo toxicological outcomes

(2008) Jason D. Hughes et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 670 Drug Compounds

(2008) R. S. Obach et al.   DRUG METABOLISM AND DISPOSITION

Identification ofN-(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†

(2008) Paul G. Wyatt et al.   JOURNAL OF MEDICINAL CHEMISTRY

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY

Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of LogP Methods on more than 96,000 Compounds

(2008) Raimund Mannhold et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Drug-induced Phospholipidosis -Pathological Aspects and Its Prediction

(2008) Takashi Nonoyama et al.   Journal of Toxicologic Pathology

Cytochrome P450 and Chemical Toxicology

(2007) F. Peter Guengerich   CHEMICAL RESEARCH IN TOXICOLOGY