Chemical features present in a
hit or
lead molecule indicative of potential toxicity.
Note: Typically, such features include chemically reactive functionality and components known to metabolise to chemically reactive entities.
Examples: Anhydrides, aromatic amines, and epoxides.
Source: PAC, 2013,
85, 1725. (
Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)) on page 1752 [
Terms] [
Paper]