International Journal of Medicinal Chemistry / 2012 / Article / Tab 1

Research Article

Pharmacophore Modelling and 3D-QSAR Studies on N πŸ‘ -Phenylpyrazinones as Corticotropin-Releasing Factor 1 Receptor Antagonists

Table 1

Various substituents attached to basic structure of -phenylpyrazinones.

Comp. No.SeriesR1ArXYnIC50pIC50Set

1.a452325.tab.001a452325.tab.001bClHβ€”39.07.409Training
2.a452325.tab.002a452325.tab.002bClHβ€”2.98.685Training
3.a452325.tab.003a452325.tab.003bClHβ€”2.48.620Test
4.a452325.tab.004a452325.tab.004bClHβ€”0.639.2Test
5.a452325.tab.005a452325.tab.005bClHβ€”1.78.856Training
6.a452325.tab.006a452325.tab.006bClHβ€”1.38.98Training
7.a452325.tab.007a452325.tab.007bClHβ€”1.48.85Training
8.a452325.tab.008a452325.tab.008bClHβ€”127.921Test
9.a452325.tab.009a452325.tab.009bClHβ€”167.796Training
10.a452325.tab.0010a452325.tab.0010bClHβ€”357.585Training
11.a452325.tab.0011a452325.tab.0011bClHβ€”766.041Training
12.a452325.tab.0012a452325.tab.0012bClHβ€”0.809.096Test
13.a452325.tab.0013a452325.tab.0013bClHβ€”0.628.89Training
14.a452325.tab.0014a452325.tab.0014bClHβ€”0.279.568Test
15.a452325.tab.0015a452325.tab.0015bClHβ€”0.429.376Training
16.a452325.tab.0016a452325.tab.0016bClHβ€”0.269.585Training
17.a452325.tab.0017a452325.tab.0017bClHβ€”0.599.285Training
18.a452325.tab.0018a452325.tab.0018bClHβ€”1.78.88Training
19.a452325.tab.0019a452325.tab.0019bClHβ€”2.18.74Training
20.a452325.tab.0020a452325.tab.0020bClHβ€”108.77Training
21.a452325.tab.0021a452325.tab.0021bClHβ€”0.299.568Training
22.a452325.tab.0022a452325.tab.0022bClHβ€”1.29.212Training
23.a452325.tab.0023a452325.tab.0023bClHβ€”2.88.42Training
24.a452325.tab.0024a452325.tab.0024bClHβ€”2.49.376Training
25.a452325.tab.0025a452325.tab.0025bClHβ€”6.38.89Training
26.a452325.tab.0026a452325.tab.0026bClHβ€”5.88.236Test
27.a452325.tab.0027a452325.tab.0027bClHβ€”0.539.275Training
28.a452325.tab.0028a452325.tab.0028bClHβ€”9.38.032Training
29.a452325.tab.0029a452325.tab.0029bClHβ€”1806.745Training
30.a452325.tab.0030a452325.tab.0030bClHβ€”6.68.181Test
31.a452325.tab.0031a452325.tab.0031bClHβ€”2.48.62Training
32.a452325.tab.0032a452325.tab.0032bClHβ€”0.529.284Training
33.a452325.tab.0033a452325.tab.0033bClHβ€”1.58.824Test
34.a452325.tab.0034a452325.tab.0034bClHβ€”9106.041Training
35.a452325.tab.0035a452325.tab.0035bClHβ€”2806.553Training
36.a452325.tab.0036a452325.tab.0036bClEtβ€”1.58.824Test
37.a452325.tab.0037a452325.tab.0037bClEtβ€”4.68.62Training
38.a452325.tab.0038a452325.tab.0038bClHβ€”1.18.959Training
39.a452325.tab.0039a452325.tab.0039bClEtβ€”3.47.469Test
40.bClβ€”CH2β€”10.629.207Training
41.bBrβ€”CH2β€”10.949.026Test
42.bBrβ€”O2197.722Test
43.a452325.tab.0043a452325.tab.0043bHHβ€”1506.824Test
44.a452325.tab.0044a452325.tab.0044bClHβ€”1.88.745Training
45.a452325.tab.0045a452325.tab.0045bBrHβ€”1.28.921Test
46.a452325.tab.0046a452325.tab.0046bMeHβ€”3.88.44Training
47.a452325.tab.0047a452325.tab.0047bC≑CNHβ€”6.78.25Training
48.a452325.tab.0048a452325.tab.0048bC≑CHHβ€”5.68.46Training
49.a452325.tab.0049a452325.tab.0049bC2H5Hβ€”1806.744Test
50.a452325.tab.0050a452325.tab.0050b452325.tab.0050cHβ€”12005.921Training

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