Druglike

Poor pharmacokinetics and toxicity are important causes of costly late-stage failures in drug development. It is generally recognized that, in addition to optimized potency and specificity, chemical libraries should also possess favorable ADME/Tox and druglike properties [77-80]. Assessment of druglike character is an attempt to decipher molecular features that are likely to lead to a successful in vivo and, ultimately, clinical candidate [81-83]. Many of these properties can be predicted before molecules are synthesized, purchased, or even tested in order to improve overall lead and library quality. 

Ajay A, Walters WP, Murcko MA. Can we learn to distinguish between druglike and nondrug-like molecules J Med Chem 1998 41 3314-24. 

There are a number of reasons why HTS may not be delivering. Lipinski has argued that compounds coming out of HTS are not druglike [14]. They are too large and too lipophilic. HTS systems by their nature are... 

I. V. In silica approaches to prediction of aqueous and DMSO solubility of druglike compounds trends, problems and solutions. Curr. Med. Chem. 2006, 13, 223-241. 

S. O. Prediction of pH-dependent aqueous solubility of druglike molecules. J. Chem. Inf. Model. 2006, 46, 2601-2609. 

Metabolites are generated by the body s own biochemical processes as a way to facilitate excretion of xenobiotics. The enzymes catalysing in vivo modification of drugs and druglike molecules have a fundamental significance for the pharmaceutical industry. This was once primarily the field of the pharmacologist, but interest in metabolic reactions... 

Frimurer, T.M., Bywater, R., Naerum, L., Lauritsen, L.N., Brunak, S. Improving the odds in discriminating druglike from nondruglike compounds. 

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