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. 2018 Apr 9;9(5):446–451. doi: 10.1021/acsmedchemlett.8b00030

Table 1. Biological Data of Compounds from Scheme 1.

compd. No. CXCR4 Ca2+ flux IC50 (nM) microsomal stability (H/R/M)a CYP450 2D6 IC50 (μM)b PAMPA pH 7.4 Pc (nm/s)
5 6 77/37/17 0.32 0
13 65 86/65/13 1.87 0
14 150 66/17/32 1.04 19
15 553 96/62/79 4.21 10
16 17 100/100/92 2.14 0
17 66 82/15/96 1.43 14
20 161 75/28/23 0.03 0
21 16 93/55/56 0.11 55
a

Liver microsomal stability measured as percent remaining by LCMS after 10 min in human (H), rat (R), and mouse (M) microsomes.

b

All compounds have mAChR Ca2+ flux IC50 > 14 μM and CYP450 3A4 IC50 > 12 μM.