Metabolite Tales Blog

APRIL 4, 2023

Metabolism of 2022 FDA approved small molecule drugs part 2 Mixing it Up By Julia Shanu-Wilson In Part 1 of this topic we looked at metabolism of the small molecule drugs approved by the FDA in 2022 that were mediated by CYP3A4. link] [2] Zhang and Tang, 2018. 2018 Sep;8(5):721-732.

Small Molecule 52

Small Molecule FDA Approval FDA Drugs 52

Metabolite Tales Blog

MAY 12, 2023

In 2021, almost one third of FDA approved drugs contained at least one fluorine. This was surprising given that replacement of a phenyl with a pyrimidine and fluorination of aryl or heteroaryl rings are techniques often used to increase metabolic stability. Bourgeois, James A. Perkins, Arsany A. Abouda, Kahari J.

Drugs 52

Drugs Small Molecule Metabolic Stability FDA Approval 52

Practical Cheminformatics

AUGUST 3, 2023

I wrote more about the problems with this dataset in a Practical Cheminformatics post in 2018. 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. I have a few ideas.

Drugs 94

Drugs Biochemical Assays Metabolic Stability Screening Hits 94