Welcome to SpotRM Web

Detection and guidance on structural alerts for reactive metabolite formation

SpotRM supports the design of new drug structures by detecting potentially bad motifs/structural features that can cause reactive metabolites.

Evaluation is guided by expert comments on the original literature, which is accessible via links.

Whenever possible, guidance to avoid or replace a risky substructure is given.

Recent Updates

August 2024:
Search performance enhancements and bug updates
January 2023:
The open source chemical editor JSME is now used for sketching structural queries

Key features include:

The basic principles and the design and selection of the structural alerts have been reviewed in a perspective paper: A. Claesson & A. Minidis, Systematic Approach to Organizing Structural Alerts for Reactive Metabolite Formation from Potential Drugs, Chem. Res. Toxicol. 2018

Additional background on the system can be found in the following publications: A. Claesson, Use of Structural Alerts for Reactive Metabolites in the Application SpotRM, Chem. Res. Toxicol. 2024 and A. Claesson & K. Parkes, Non-innocuous Consequences of Metabolic Oxidation of Alkyls on Arenes, J Med Chem, 2022, 65, 17

SpotRM Web is developed by Awametox.

For an evaluation or to request information about licensing please complete the form here. Note that the license is free for academic use.