Value of the Data •The data provided in this article aim interpreting how the structural changes, made to explore the biological activity of a novel class of triazole-based NAMPT inhibitors, might influence their metabolic stability and aqueous solubility. Both issues might impact on their pharmacokinetic. •This article would help the reader to outline, from the ADME point of view, the potential but also the limitation of our novel triazole-based NAMPT inhibitors, previously described in the related research article. •This article provides useful data for further development of compounds potentially active toward extracellular NAMPT where, suitable pharmaceutical properties (e.g. solubility), are required.