Practical Cheminformatics

AUGUST 3, 2023

Most pharmaceutical compounds tend to have solubilities somewhere between 1 and 500 µM. Clintox – This dataset consists of 1483 SMILES strings and two binary labels indicating whether a molecule is an FDA-approved drug and whether a toxicity outcome has been reported. Values less than 1µM are often reported as “ 500µM”.

Drugs 84

Drugs Biochemical Assays Metabolic Stability Screening Hits 84

Metabolite Tales Blog

MAY 12, 2023

Now >20% of all commercialised medicines in the pharmaceutical industry contain a fluorine atom [2]. In 2021, almost one third of FDA approved drugs contained at least one fluorine. References [1] Metabolic and Pharmaceutical Aspects of Fluorinated Compounds. Benjamin M. Airaksinen.

Drugs 52

Drugs Small Molecule FDA Approval Metabolic Stability 52

Drug Target Review

JANUARY 16, 2025

Food and Drug Administration (FDA) approved drugs, macrocycles are used to combat a range of diseases, including cancer, viral, fungal and bacterial infections, neurodegenerative and autoimmune diseases. Pharmaceuticals , 16(7):996, 2023. Cyclic Peptide Design, Chapter 2: Strategies to Enhance Metabolic Stabilities.

Drug Development 52

Drug Development Small Molecule Drugs FDA Approval 52