Compound | CNS MPO Scorea | clog D/sqrt(MW) | Kp,brain in Publication | Kp,brain in Wild-Type | Kp,uu,brain in Wild-Type | Kp,brain in TKO | Kp,uu,brain in TKO | DA |
---|---|---|---|---|---|---|---|---|
AEE788 | 3.3 | 0.166 | NA | 0.066 | 0.029 | 1.86 | 0.80 | 28 |
Afatinib | 3.6 | 0.106 | 0.35b | 0.268 | 0.048 | 2.41 | 0.43 | 9 |
AZD3759 | 3.7 | 0.180 | 0.89c | 1.70 | 2.96 | 2.65 | 4.61 | 2 |
Dacomitinib | 2.8 | 0.163 | NA | 0.612 | 0.493 | 9.77 | 7.88 | 16 |
Erlotinib | 4.9 | 0.161 | 0.02d/0.14e | 0.060 | 0.130 | 0.20 | 0.44 | 3 |
Gefitinib | 4.0 | 0.172 | 0.21f/0.3g | 0.358 | 0.103 | 2.20 | 0.63 | 6 |
Osimertinib | 2.8 | 0.135 | 1.78h | 0.988 | 0.289 | 15.7 | 4.61 | 16 |
Vandetanib | 3.3 | 0.129 | 0.21i | 0.635 | 0.138 | 12.2 | 2.65 | 19 |
NA, not available.
↵a MPO, multiparameter optimization score calculated by using the method from Wager et al. (2016).
↵b Reported from van Hoppe et al. (2017).
↵c Reported from Xiong et al. (2017).
↵d In rat. Reported from Agarwal et al. (2013).
↵e In mouse. Reported from de Vries et al. (2012).
↵f In nude mice. Reported from Ballard et al. (2016).
↵g In FVB mice. Reported from Agarwal et al. (2010).
↵h In nude mice. Reported from Ballard et al. (2016).
↵i In FVB mice. Reported from Minocha et al. (2012).