Table 3Summary of SAR to Replace the Nitro Group

SAR AnalysisStructure
Image ml214fu19.jpg
Potency (μM)
Mean ± S.E.M.
Fold Selectivity
Entry No.CIDSIDBroad ID No.*R1MEF-A1-2A-BIMBax/Bak −/−
nAC10nAC10
1CID 776319SID 103074555BRD-K03857568SNO2 (hit compound)57.52 ± 2.283IA-
Solubility (PBS): <0.5 μM; PPB (h): 87.3%, (m): 59.7%; PS (h): 4.1%, (m) 3.5%; Purity: 100%
2CID 49835867SID 103910853BRD-K96825926SCO2Et1IA1IA-
Solubility (PBS): <0.5 μM; PPB (h): 99.0%, (m): 99.2%; PS (h): 100%, (m) ND; Purity: 90%
3CID 46926579SID 99432289BRD-K10919413SH2IA2IA-
Solubility (PBS): <0.5 μM; PPB (h): 99.7%, (m): 99.5%; PS (h): 96.5%, (m) ND; Purity: 53%
4CID 49789901SID 103074553BRD-K67109311S
Image ml214fu20.jpg
2IA2IA-
Solubility (PBS): <0.5 μM; PPB (h): 99.4%, (m): 98.6%; PS (h): 91.7%, (m) 99.6%; Purity: 90%

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

*

S = Synthesized; P = Purchased

From: Discovery of Inhibitors of Anti-Apoptotic Protein A1

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

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