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. 2016 Apr 10;12(2):62–68. doi: 10.6026/97320630012062

Table 3. Molinspiration bioactivity calculations; of five criteria of known successful drug activity, with a score typically between -3 and 3.

No Compound GPCR ligand Ion channel modulator Kinase inhibitor Nuclear receptor ligand Protease inhibitor
1 NSC636674 0.09 0.11* -0.10 0.06 0.06
2 NSC132828 -0.12 -0.22 -0.43 -0.35 -0.15
3 NSC132835 0.09 0.17 -0.25 -0.47 0.07
4 AF-407/ 13462035 -0.17 -0.12 0.08 -0.23 -0.36
5 NSC168977 0.14 0.21* -0.16 -0.27 -0.20
6 S341886 -0.90 -1.12 -0.63 -1.08 -1.07
7 NSC13240 0.55 0.36 0.76 -0.05 0.05
8 7921112 0.02 -0.06 0.15 -0.42 0.13
9 NSC96938 0.22 0.41* 0.07 -0.55 -0.50
10 AE-641/00584006 0.14 -0.06 0.14 -0.36 0.20