Table 2 Comparison of biological, structural and physicochemical properties of improved congener 4h and prototype 1
From: Structure–activity relationships in a series of antiplasmodial thieno[2,3-b]pyridines
ID | IC50 [µM], PfGSK-3a (Kinase Glo Plus) | IC50 [µM], HsGSK-3a (Kinase Glo Plus) | IC50 [µM], PfGSK-3b (radiometric) | IC50 [µM], PfNF54-Luc | IC50 [µM], HEK 293Tc | SId | TPSA [Å2]e | Fsp3 f | S0 p H 7.4, exp [µM]g |
|---|---|---|---|---|---|---|---|---|---|
1 | 0.24 (0.21–0.27) | 9.08 (6.72–12.5) | 0.151 (0.154–0.148) | 5.5 | 35.2 (27.0–46.3) | 6.4 | 134.0 | 0.00 | 1.5 ± 0.3 |
4h | 0.72 (0.68–0.75) | 40.2 (38.3–42.2) | 0.184 (0.179–0.190) | 1.2 | 5.56 (5.05–6.03) | 4.6 | 140.5 | 0.19 | 4.8 ± 0.9 |