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 |
Liver microsomal stability measured as percent remaining by LCMS after 10 min in human (H), rat (R), and mouse (M) microsomes.
All compounds have mAChR Ca2+ flux IC50 > 14 μM and CYP450 3A4 IC50 > 12 μM.