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. 2017 Dec 20;9(2):89–93. doi: 10.1021/acsmedchemlett.7b00406

Table 2. Drug Properties of Cyclic Side-Chain Congeners of TIQ15.

graphic file with name ml-2017-00406r_0005.jpg

    CXCR4 Ca2+ flux mAChR M3 Ca2+ flux PAMPA, nm/s
 CYP450 (2D6) CYP 450 (3A4 BFC) metabolic stability, % remaining
entry compd IC50, nMa IC50, μM pH = 7.4 pH = 5.5 IC50, μM IC50, μM mouse rat human
1b 10a 6.4 >33 130 8 0.54 >20 1 1 100
2 10b 13 13 d 88 0.27 >20 4 1 100
3 10c 280 >33 12 0 0.76 10 44 51 39
4c 10d 340 10 d 0 12 12 92 86 63
5 15a 34 >33 37 6 2.5 >20 77 71 95
6 15b 1,800 >33 0 10 0.081 >20 56 24 86
a

See Supporting Information for standard deviations.

b

Ymax for mAChR is 51%.

c

IC50 = 9.1 μM CYP450 (2C19), 4.1 μM CYP450 (2C8).

d

Value was not obtained.