Table 1.

Structures and binding affinities (mean ± SD) of S1P and new compounds toward S1PR1^a,b.

Compd.	R	S1PR1 IC50 (nM)	MW	ClogP	TPSA	HBD
S1P		1.4 ± 0.3	379.5	4.1	113.0	4
9a		13.2 ± 3.2	431.4	3.4	103.3	1
9b		67.1 ± 12.6	395.3	3.7	86.3	1
9c		40.0 ± 17.8	459.4	3.7	89.4	1
10a		> 1000	396.3	4.9	80.5	1
10b		272 ± 65	411.3	3.3	92.5	2
10c		14.7 ± 1.7	410.3	3.3	98.3	2
12a		341 ± 126	477.4	4.2	108.4	1
12b		9.7 ± 1.6	463.4	3.1	91.4	1
15		156 ± 47	464.5	4.1	72.4	1
16a		99.8 ± 12.2	439.4	1.3	92.5	2
16b		6.3 ± 1.3	453.4	2.0	92.5	2
21a		34.2 ± 7.1	381.3	4.0	69.2	1
21b		44.2 ± 6.8	425.4	4.1	78.4	1

^aIC₅₀ values were determined at least 3 independent experiments, each run was performed in duplicate; Assays for compounds which showed no activity (IC₅₀ > 1000 nM) were only repeated twice;

^bMW, ClogP, TPSA, and HBD were calculated by ChemDraw Professional 16.0.1.4 (77) (PerkinElmer Informatics, Inc.).