A phenotypic screening platform utilising human spermatozoa identifies compounds with contraceptive activity

Compound names and nominal target/functional annotation shown on left along with chemical structure and physico-chemical properties. The 8-point dose response curves for each hit with estimated Hill slope, EC₅₀ and Efficacy [% max reduction] are shown on the right. Two data points per concentration (n = 2); data points are Mean ± SD. A 4-parameter logistic fit has been performed using R package: dr4pl. Calculated EC₅₀ values and Efficacy (% max effect) in the motility assay are shown in the right hand section. CC₅₀ values for HEK293 and HepG2 CellTiter-Glo cytotoxicity assays performed by CALIBR (www.reframedb.org) are shown in the right hand section. Note: 0 = inactive in cytotoxicity assay. The chemical structure of the hit compound is shown as well as some annotation and physicochemical properties (for nomenclature description see Figure 2). See Figure 2—source data 2 along with Figure 2—source code 2.

Compound names and nominal target/functional annotation shown on left along with chemical structure and physico-chemical properties. The 8-point dose response curves for each hit with estimated Hill slope, EC₅₀ and Efficacy [% max induction] values are shown on the right. Two data points per concentration (n = 2); data points are Mean ± SD. A 4-parameter logistic fit has been performed using R package: dr4pl. CC₅₀ values for HEK293 and HepG2 CellTiter-Glo cytotoxicity assays performed by CALIBR (www.reframedb.org) are shown in the right hand section. Note: 0 = inactive in cytotoxicity assay. Physicochemical properties were calculated using RDKit, Python and KNIME: SlogP = partition coefficient (Wildman and Crippen, 1999); TPSA is the Topological Polar Surface Area (Ertl et al., 2000); MW is the exact Molecular weight; QED = Quantitative Estimate of Drug-likeness (Bickerton et al., 2012). See Figure 3—source data 3 along with Figure 3—source code 2 .