International Journal of Medicinal Chemistry / 2012 / Article / Tab 6

Research Article

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

Table 6

Experimental and predicted IC50 values of test set molecules based on hypothesis AADHHR.47.

Comp. No.Experimental activity (IC50)Predicted activity (IC50)Fitness scoreComp. no.Experimental activity (IC50)Predicted activity (IC50)Fitness score

3.8.6208.681.99368.8249.231.95
4.9.2009.102.23397.4697.421.89
8.7.9218.152.01419.0269.071.81
12.9.0969.022.27427.7228.411.94
14.9.5689.192.23436.8247.122.51
26.8.2368.422.21458.9219.110.87
30.8.1818.131.18496.7447.142.61
33.8.8249.201.75

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