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. Author manuscript; available in PMC: 2015 Jul 29.
Published in final edited form as: Bioorg Med Chem. 2013 Oct 5;21(23):7309–7329. doi: 10.1016/j.bmc.2013.09.060

Table 1.

Affinities (Ki values ± SEM) and calculated physicochemical parameters (logP, TPSA, logBB) of the (-)-cytisine 1 and cytisine derivatives 4–7

Structure α4β2* Ki [nM] α3β4* Ki [nM] α7* Ki [nM] (α1)2β1γδ Ki [nM] Mol. Weight ClogPa TPSA logBBb
graphic file with name nihms531342t1.jpg 1c 0.122 18 261 1,300 190.24 0.17 32.34 −0.25
graphic file with name nihms531342t2.jpg 4c 128 > 10,000 > 10,000 > 10,000 266.34 2.27 32.34 −0.01
graphic file with name nihms531342t3.jpg 5c 0.91 119 1,100 > 5,000 267.14 1.03 45.23 −0.23
graphic file with name nihms531342t4.jpg 6c 3.9 436 > 10,000 > 10,000 267.14 0.78 45.23 −0.28
graphic file with name nihms531342t5.jpg 7c 110 > 10,000 > 10,000 > 10,000 310.35 2.31 50.80 −0.03
a

logP values have been calculated using the ACD/Labs Algorithm (ACD);

b

logBB was calculated from logP derived from using the ACD/Labs Algorithm (ACD);

c

data from ref. 16–20.