Table 7. Selected SARs from Neutral P1 Groups^a.

								solubility (mg/mL)
compd	R1	R2	R3	X	PKa IC50 (nM)	Caco-2 Papp (×10–6 cm/s)	HLM CLint (μL/min/mg of protein)	FaSSIF	FaSSGF	cLogPe	cLogDe pH 7.4/pH 6.5	LLE
13b	CH2OCH3	F	OCH3	CF	6.0	18	92	0.009b,c	0.009b,c	2.8	2.8/2.8	5.4
13k	CH2OCH3	F	OCH3	CCN	1.0	14	58	0.031b	0.021b	2.1	2.1/2.1	6.9
14s	CH2OCH3	CH3	OCH3	N	4.1	25	25	0.11b	0.97b	2.0	1.9/1.8	6.4
14w	CH2OCH3	F	OCH3	N	6.0	9.0	14	0.22b, 0.11b,c	>1.0b, 11b,d	1.8	1.8/1.8	6.4
14x	CH2OCH3	F	OCH2CH3	N	7.9	11	69	n.d.	n.d.	2.2	2.2/2.2	5.9
15	H	F	OCH3	N	5.1	3.1	2.0	n.d.	n.d.	1.5	1.5/1.5	6.8
16	CF3	F	OCH3	N	3.2	17	49	0.02b	0.69b	2.2	2.2/2.2	6.3
17	cyclopropyl	F	OCH3	N	4.4	9.5	49	n.d.	n.d.	2.0	2.0/2.0	6.4

^an.d., not determined.

^bTested at a theoretical concentration of 1 mg/mL.

^cSolubility was carried out on crystalline material.

^dTested at a theoretical concentration of 100 mg/mL.

^ecLogP and cLogD values generated using ACD/Laboratories Percepta software.