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. 2022 Jan 6;194(1):215–231. doi: 10.1007/s12010-021-03791-7

Table 8.

Bioactivity score of compounds using Molinspiration.com

Compound GPCR ICM KI NRL PI EI
Andrographolide 0.32 0.17  − 0.01 0.94 0.26 0.81
Bassic acid 0.23  − 0.28  − 0.35 0.79 0.16 0.66
Curdione  − 0.26  − 0.01  − 1.04  − 0.05  − 0.040  − 0.33
Nectandrin B 0.08  − 0.16  − 0.16 0.20  − 0.14 0.10
Nimbolide 0.22 0.22  − 0.36 0.32 0.04 0.36
Oleanolic acid 0.26  − 0.06  − 0.40 0.77 0.15 0.65
Panaxadiol 0.16 0.15  − 0.26 0.54 0.19 0.66
Panaxatriol 0.19 0.16  − 0.27 0.55 0.19 0.73
Salvicine 0.10 0.50  − 0.06 0.30 0.26 0.61
Ursolic acid 0.28  − 0.03  − 0.50 0.89 0.23 0.69
Withaferin A 0.07 0.14  − 0.49 0.76 0.15 0.94
Hecogenin 0.05 0.04  − 0.57 0.47 0.08 0.61
Dovitinib (Standard drug) 0.23 0.10 0.84  − 0.01  − 0.06 0.27
Gefitinib (Standard drug)  − 0.18  − 0.54  − 0.07  − 0.62  − 0.67  − 0.26