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. 2017 Sep 1;8(9):981–986. doi: 10.1021/acsmedchemlett.7b00315

Table 1. Hit Profile of Pyrazine Sulfonamide 1.

graphic file with name ml-2017-00315w_0003.jpg

biological assay/test procedure compound 1
hCCR4 binding (pIC50) 7.2 ± 0.2
hPPB (%) >99.9
calcd WBP (pIC50)a <4.2
logD 1.1
solubility (mg/mL) 0.34
human hepatocytes (μL/mL/106 cells) <0.2
rat/mouse in vivo PK  
Cl (mL/min/kg) 0.1/0.1
Vss (L/kg) 0.1/0.1
T1/2 (h) 16/10
bioavailability (%) 45/86
rat/mouse CCR4 binding (pIC50) 8.3/8.3
rat/mouse PPB (%) 99.85/96.7
a

Calculated from the hCCR4 binding and % age PPB.