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. 2015 Sep 23;10(11):1821–1836. doi: 10.1002/cmdc.201500301

Table 4.

In vitro pharmacokinetic and physicochemical properties

Inline graphic
Compd R Mr [Da] clogP/clogD[a] PSA [Å2][a] CLint (m)[b] PPB [%][b]
39 Inline graphic 383 3.8/1.2 68 2.0 ND
40 Inline graphic 412 3.1/1.0 62 ND ND
41 Inline graphic 397 4.0/1.7 59 10 82
42 Inline graphic 399 2.7/1.0 68 7.0 ND
43 Inline graphic 385 2.8/0.6 77 ND ND
44 Inline graphic 397 4.0/1.7 59 12 94

[a] Polar surface area, calculated partition (clogP) and distribution (clogD) coefficients calculated using StarDrop from Optibrium. [b] CLint (m) [mL min−1 (g liver)−1] and plasma protein binding (PPB) were determined using the protocol described in the Experimental Section; ND=not determined.