Table 6.

Characterization of optimized compounds.

CMPD No.		ALDH IC50a (μM)			ADME Characterization				PEO1 Cell ALDEFLUORf (% inhib. @ 1 μM)
		1A1	1A2	1A3	MLMb t1/2 (min)	Aq. Solc (μM)	cLogPd	LLEe
28		0.13 ±0.03	0.11 ±0.02	0.073 ±0.005	8	8	4.5	2.5	47 ±5
422		0.08 ±0.01	0.25 ±0.04	0.12 ±0.02	23	5	4.7	2.4	50
67		0.10 ±0.04	0.08 ±0.02	0.060 ±0.01	19	77	4.8	2.2	87 ±3
68		0.109 ±0.004	0.065 ±0.006	0.109 ±0.004	47	26	4.8	2.2	98 ±0.3
69		0.068 ±0.02	0.021 ±0.01	0.048 ±0.013	>60	60	3.7	3.5	99 ±0.5
70		0.118 ±0.008	0.058 ±0.001	0.25 ±0.02	2.7	189	3.6	3.3	99 ±0.3
74		0.093 ±0.02	0.112 ±0.012	0.050 ±0.003	>60	19	5.1	1.9	90 ±3

^aValues are expressed as mean ± SEM (n=3).

^bHalf-life in mouse liver micorosomes.

^cThermodynamic aqueous solubility (performed by Analiza Inc. using quantitative nitrogen detection (www.analiza.com)).

^dCalculated log P.

^eLipophilic Ligand Efficiency.

^fMean ± SD as determined by flow cytometry (N=3).