TABLE 1

Physicochemical properties of EGFR inhibitors used in the study

Compound	Type	MW^{^a}	clog P^{^b}	clog D^{^b}	TPSA^{^a}	HBD^{^a}	pK_a^{^b}	Efflux Liability
AEE788	Reversible^{^c}	441	4.44	3.49	60	2	8.24	Not reported
Afatinib	Irreversible^{^d}	486	3.76	2.34	89	2	8.81	P-gp and Bcrp^{^e}
AZD3759	NA	460	4.03	3.86	80	1	7.10	Not a substrate^{^f}
Dacomitinib	Irreversible^{^g}	470	4.71	3.53	79	2	8.55	Not reported
Erlotinib	Reversible^{^h}	393	3.20	3.20	75	1	4.62	P-gp and Bcrp^ⁱ
Gefitinib	Reversible^{^h}	447	3.75	3.64	69	1	6.85	P-gp and Bcrp^{^j}
Osimertinib	Irreversible^{^k}	500	4.49	3.01	88	2	8.87	P-gp and Bcrp^{^e}
Vandetanib	NA	475	4.54	2.81	60	1	9.13	P-gp and Bcrp^{^l}

HBD, hydrogen bond donor and acceptor count; MW, molecular weight; NA, not available; TPSA, topological polar surface area.
↵^a Obtained from PubChem (https://pubchem.ncbi.nlm.nih.gov/).
↵^b Obtained from ChemAxon (https://chemicalize.com/).
↵^c Reardon et al. (2012).
↵^d Solca et al. (2012)
↵^e Ballard et al. (2016).
↵^f Zeng et al. (2015).
↵^g Engelman et al. (2007).
↵^h Krawczyk et al. (2017).
↵ⁱ Agarwal et al. (2013).
↵^j Agarwal et al. (2010).
↵^k Cross et al. (2014).
↵^l Minocha et al. (2012).