Table 5Summary of SAR on the Sulfonamide Portion

Entry No.CIDSIDBroad IDStructure
Image ml238fu4.jpg
Potency (μM) Mean ± S.E.M.Fold Selectivity
HepG2/Dd2
R13D7
48 h (n=1)
3D7
96 h (n=1)
Dd2
72 h (n=1)
HepG2
48 h (n=1)
144487502104179262BRD-K910347070.210.160.66IANA
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 98%
249849918104179257BRD-K710272240.0130.0080.0590.9616.3
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 95%
349849913104179267BRD-K598449580.810.582.26IANA
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 97%
449849924104179268BRD-K404372943.472.834.85IANA
Solubility (PBS): ND, (water): ND; Purity: 95%
549849929104179258BRD-K572465490.970.941.4419.227.6
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 94%
649849917104179272BRD-K083986100.440.271.32IANA
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 88%
749849932104179275BRD-K0618072916.018.619.413.370.2
Solubility (PBS): ND, (water): ND; PPB (h): 87.5%, (m): 94.3%;PS (h): 100%, (m) 99.0%; Purity: 98%
849849914104179284BRD-K517995420.990.832.25IANA
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 94%
949849908104179274BRD-K996477304.402.028.96IANA
Solubility (PBS): <0.5 μM, (water): <0.5 μM; Purity: 98%
1049843214104179265BRD-K251474501.130.831.87IANA
Solubility (PBS): ND, (water): ND; Purity: 93%

IA = Inactive; (m) = mouse; NA = Not applicable; ND = Not determined; PPB (h) = Plasma protein binding in human; PS (h) = Plasma stability in human

From: ML238: An Antimalarial Small Molecule of a Unique Structural Class

Cover of Probe Reports from the NIH Molecular Libraries Program
Probe Reports from the NIH Molecular Libraries Program [Internet].

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