Table 2.

Molecular Properties of the 16 Active Compounds, Their Experimental Inhibition of hLig1, and Their Growth Inhibition of Cultured Human Cells^a

								Growth_Inh% (50 μM)
compd	Rot	Ring	MW	Ha	Hd	log P	hLig1_Inh% (100 μΜ)	MCF10A	HCT116
1	2	1	174.24	2	1	1.92	60.5 ± 5.0
25	1	2	190.13	2	1	0.24	59.3 ± 7.5
32	6	3	385.38	6	1	2.10	83.4 ± 3.1
64	4	2	288.65	2	0	2.15	60.6 ± 0.54	40
67	6	2	485.11	2	2	4.91	78.3 ± 8.5	70	70
82	4	2	308.66	3	2	4.84	59.8 ± 1.7	70	40
113	8	2	475.38	5	2	1.42	53.4 ± 7.6
123	4	1	228.32	4	0	1.51	66.9 ± 3.5
175	1	2	173.15	2	0	1.12	54.2 ± 16.5
180	2	3	301.21	2	1	2.44	58.3 ± 6.0	70	70
189	2	2	244.28	3	1	1.96	68.8 ± 4.9	70	70
190	2	3	268.23	5	0	1.78	52.5 ± 6.6	70	40
192	2	3	274.28	2	1	1.56	68.2 ± 1.5		70
197	6	2	308.31	0	0	1.87	91.0 ± 6.9
200	2	2	212.2	1	0	3.04	50.7 ± 10.9
202	4	4	390.42	1	0	5.08	95.0 ± 6.0	50

^aNonboldfaced compounds are those that also inhibit T4 DNA ligase by >50%. compd is the compound label, Rot the number of rotatable bonds, Ring the number of rings, MW the molecular weight, Ha the number of H-bond acceptors, Hd the number of H-bond donors, and log P the octanol/water partition coefficient. DNA joining and cell culture assays were performed as described in Methods. Inhibition of joining and proliferation is expressed as a percentage of values obtained with DMSO alone.