Table 1.
Chemical structure | CHEMBLID | MMV number | Alternative compound number | Average Pf IVT | Specificity index | CHEMBL IC50 in uM | CHEMBL IC50 in human fibroblast (MRC-5) cells to measure toxicity |
---|---|---|---|---|---|---|---|
a | CHEMBL600904 | MMV008270 | GNF-Pf-780 | 0.27 | 1.96 | 1.93 | >32000 nM |
b | CHEMBL536393 | MMV019124 | TCMDC-123658 | 0.39 | 2.05 | 0.51 | >32000 nM |
c | CHEMBL532525 | MMV665886 | TCMDC-125438 | 0.62 | 1.69 | 0.77 | >32000 nM |
d | CHEMBL589060 | MMV666057 | TCMDC-125853 | 0.71 | 1.55 | 0.61 | >32000 nM |
e | CHEMBL546994 | MMV666693 | TCMDC-124577 | 0.71 | 1.57 | 0.06 | >32000 nM |
f | CHEMBL588732 | MMV007564 | GNF-Pf-4877;TCMDC-124400 | 0.72 | 1.51 | 0.53; 0.75 | >32000 nM |
g | CHEMBL1198651 | MMV007764 | GNF-Pf-4338 | 0.74 | 1.59 | 0.31 | =19329.43 nM |
h | CHEMBL530149 | MMV006767 | GNF-Pf-3828;TCMDC-123992 | 0.75 | 1.61 | 0.41; 1.13 | >32000 nM |
After filtering for several attributes, this study offers a final list of eight hit compounds. The chemical structure letter corresponds to the structures found in Fig. 3. Listed in this Table are the CHEMBL names, MMV number, any alternative compound name found in databases, the average normalized luciferase output, specificity index, the CHEMBL IC50, and CHEMBL cytotoxicity IC50 data from human fibroblast (MRC-5) cells