title: Pharmaceutical profiling in drug discovery.
abstract: Drug discovery research organizations are building capability for measuring an ensemble of crucial 'drug-like' properties. These structure-property relationship (SPR) data complement current SAR information. This pharmaceutical profiling strategy enables research teams to better plan and interpret discovery experiments, be alerted to potential 'show stoppers', improve property liabilities, and select the best candidates for advancement. High throughput property assays for physicochemical properties--solubility, permeability, lipophilicity, stability, and pK(a)--in vitro ADME--metabolism, transporters, protein binding and CYP inhibition--and in vivo PK/exposure provide a wealth of data for teams to make informed decisions.
authors.affiliation: Discovery Analytical Chemistry, Chemical Sciences, Wyeth Research, CN 8000, Princeton, NJ 08543-8000, USA. kernse@wyeth.com
authors.forename: Edward H
authors.initials: EH
authors.lastname: Kerns
authors.forename: Li
authors.initials: L
authors.lastname: Di
mesh_terms: D000818:Animals; D055598:Chemical Phenomena; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D002627:Chemistry, Physical; D016208:Databases, Factual; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods; D015507:Drugs, Investigational / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D021281:Quantitative Structure-Activity Relationship
chemical_list: D015507:Drugs, Investigational