Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents

BMC Bioinformatics

Table 3 Contribution of various physico-chemical descriptors

Compound No.	pIC₅₀ Value	R2-slogp	R2-SssCH2Count	R6-HydrogensCount	R3-Psi1
1	7.0809	0.6361	0	2	Nan
2	7.6382	1.1785	0	2	Nan
3	6.2757	−0.3915	0	2	Nan
4	6.2676	0.4985	0	1	Nan
5	5.9172	0	0	0	0
6	7.1674	1.1785	0	2	0.5154
7	5.0127	−0.3915	0	2	0.5154
8	4.7587	−0.0014	1	2	0.5154
9	7.1870	1.1785	0	2	Nan
10	6.1249	−0.3915	0	2	Nan
11	5.9546	−0.0014	1	2	Nan
12	6.5850	0.9581	0	2	0.3846
13	6.4948	0.802	0	2	0.3846
14	5.9318	0.5327	0	2	0.3846
15	6.5376	0.6361	0	2	0.3846
16	5.6536	−0.3915	0	2	0.3846
17	6.2076	0.4985	0	2	0.3846
18	5.2395	−0.0014	1	2	0.3846
19	7.3767	1.1785	0	4	Nan
20	6.3767	−0.3915	0	4	Nan
21	6.004	−0.0014	1	4	Nan
22	7.0604	1.1785	0	1	Nan
23	7.4814	1.1785	0	2	Nan
24	6.2441	−0.3915	0	2	Nan
25	5.9625	−0.0014	1	2	Nan
26	6.4814	0.246	0	2	Nan
27	7.3279	1.1785	0	2	Nan
28	7.2518	1.1785	0	1	Nan
29	5.9065	−0.3915	0	1	1.7976
30	5.4647	−0.0014	1	1	Nan
31	6.2291	0.4985	0	1	Nan
32	6.7212	1.1785	0	4	0.3846
33	7.1023	0.4985	0	4	Nan
34	5.9507	−0.3915	0	4	Nan
35	5.8446	−0.0014	1	4	Nan
36	7.8239	1.1785	0	4	Nan
37	6.0705	0.246	0	2	Nan

ISSN: 1471-2105