Sertaconazole exhibits a diverse array of bioactivities. It has no significant hepatic side effects according to the DILIps training set, with multiple hepatic parameters scoring 0.0, indicating no bioactivity related to liver injury or dysfunction. It acts as an inhibitor of mouse Ido2 in HEK293T cells, using L-tryptophan as a substrate and achieving an inhibition of ≥ 55.0% at 20 µM. The compound also inhibits IDO1, with an IC50 value of 8400.0 nM, and exhibits cytotoxicity against mouse P815B cells with an LD50 of 10.0 µM. Additionally, it is soluble up to 10000.0 nM in pH 6.5 phosphate buffer with 5% DMSO.
For antiviral activity, Sertaconazole has limited effectiveness against SARS-CoV-2, with a low hit score of 0.03803, 2.98% inhibition of 3CL-Pro protease at 20 µM, and inhibition of virus-induced cytotoxicity in VERO-6 cells showing an IC50 greater than 20000.0 nM.
Furthermore, Sertaconazole inhibits equine serum butyrylcholinesterase and human IDO1 with IC50 values of 7400.0 nM and 3800.0 nM, respectively. It also shows inhibitory activity against human HDAC6 enzyme with inhibition values of -25.26% on a commercial peptide substrate and -3.77% on a custom peptide substrate. The compound has binding affinities towards multiple receptors, including human DRD1, KCNH2, SLC6A3, SLC6A2, SLC6A4, ADRA2A, OPRM1, DRD3, CHRM2, ADORA3, HRH3, AR, PGR, and GABRA1, and demonstrates antagonist activity at human TBXA2R and CHRM1, as well as agonist activity at human ADRA1A and TBXA2R. It also inhibits human PTGS1 and PDE4A..
Note: Summary generated by AI. Data source: ChEMBL 