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. 2013 Mar 21;56(9):3446–3455. doi: 10.1021/jm400140q

Table 1. β1AR Binding Affinities, LE, LLE, and cLogP Values of 824.

graphic file with name jm-2013-00140q_0006.jpg

compd R, R1, R2 β1AR pKia LE cLogP b LLE
8 R1, R2 = H 5.20 0.44 1.59 3.61
9 R = H 5.87 0.67 1.11 4.76
10   5.63 0.48 1.51 4.12
11   5.60 0.48 1.46 4.14
12 R = 3-Cl, 5-Cl 7.07 0.69 3.03 4.04
13 R = 2-Cl, 3-Cl 6.97 0.68 2.90 4.07
14 R = 3-Cl, 4-Cl 6.67 0.65 2.67 4.00
15 R = 3-Me, 4-Me 6.13 0.60 2.03 4.10
16 R = 2-Me, 3-Me 6.27 0.61 2.03 4.24
17 R = 3-CF3, 5-CF3 5.90 0.40 4.03 1.87
18 R = 3-OMe, 5-OMe 5.80 0.49 0.79 5.01
19   7.17 0.65 1.03 6.14
20 R1 = Me, R2 = H 6.65 0.53 2.05 4.60
21 R1 = H, R2 = 2-thienyl 6.60 0.43 2.39 4.21
22   5.80 0.47 1.44 4.36
23   6.70 0.43 3.69 3.01
24   6.17 0.40 3.06 3.11
a

See Experimental Section for assay conditions; pKi = −log10 Ki.

b

Reference (56).