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• W2988227344 endingPage "6275" @default.
• W2988227344 startingPage "6251" @default.
• W2988227344 abstract "We conducted an analysis on screening data generated from 1445 compounds against a panel of 130 enzymes, ion channels, and receptors to assess secondary pharmacological risks. Hit rates of these targets as well as physicochemical properties for those hits were evaluated. A majority of targets yielded hits with higher clogP, molecular weight, and more basic character than inactive compounds. Although most targets favored lipophilic hits, the average clogP of hits at a given target did not correlate with its hit rate. Furthermore, a matched pair analysis was completed to determine structural changes that impacted off-target activities. A correlation of binding assays used in this analysis illustrated that some pharmacologically related binding assays are highly correlative and may be substituted for a smaller set of surrogate assays." @default.
• W2988227344 created "2019-11-22" @default.
• W2988227344 creator A5005006695 @default.
• W2988227344 creator A5006937919 @default.
• W2988227344 creator A5070197339 @default.
• W2988227344 date "2019-11-12" @default.
• W2988227344 modified "2023-09-27" @default.
• W2988227344 title "Promiscuity of in Vitro Secondary Pharmacology Assays and Implications for Lead Optimization Strategies" @default.
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• W2988227344 doi "https://doi.org/10.1021/acs.jmedchem.9b01625" @default.
• W2988227344 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31714773" @default.
• W2988227344 hasPublicationYear "2019" @default.
• W2988227344 type Work @default.

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