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. Author manuscript; available in PMC: 2020 Dec 1.
Published in final edited form as: Biochem Pharmacol. 2019 Oct 9;170:113661. doi: 10.1016/j.bcp.2019.113661

Fig. 4. Metabolic model predictions for P450 catalyzed N-dealkylations.

Fig. 4.

Metabolic modeling was used to predict P450 catalyzed N-dealkylation of (A) terbinafine for all pathways (B) N-desmethyl-terbinafine for Pathway 2 secondary reactions, and (3) N-methyl-6,6-dimethyl-2-hepten-4-yn-1-amine for Pathway 3 secondary reactions. Predictions for metabolism at specific atomic locations were scored for increasing oxidation likelihood ranging from 0 – 1.0 (blue to red).