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 |