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. 2019 Oct 31;9(11):675. doi: 10.3390/biom9110675

Table 1.

Molecular structure and physicochemical properties of the TKIs studied.

Drug pKa 1 log P 2 Molecular Structure 3
Imatinib 8.27 4.38 graphic file with name biomolecules-09-00675-i001.jpg
Nilotinib 5.92 5.36 graphic file with name biomolecules-09-00675-i002.jpg
Dasatinib 7.22 3.82 graphic file with name biomolecules-09-00675-i003.jpg

1 pKa values referring to the strongest basic residue in each molecule were predicted using ChemAxon software and were adapted from DrugBank. 2 logP values were predicted using ChemAxon software and were adapted from DrugBank. 3 Molecular structures were adapted from DrugBank.