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.

Update January 2023:

The open source chemical editor JSME is now used for sketching structural queries

Key features include:

Identification of potential hazards in your structure(s) using a carefully designed set of structural alerts (75+).
Real drug examples (340+) illustrate the links between structural alerts and adverse drug effects.
Concise summary documents explain the background and are extensively crosslinked.
Includes a large selection of links to web-based information, such as literature references, LiverTox, DailyMed and more.
Several micro-reviews that put the most common reactive metabolite mechanisms into context.

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

Our expert knowledge in the field is further justified in this paper: 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.