Skip to main content
. 2021 Mar 3;12(4):555–562. doi: 10.1021/acsmedchemlett.0c00547

Table 1. In Vitro Biochemical Potency Data for Initial Derivatives of Compound 7.

graphic file with name ml0c00547_0008.jpg

Compd R1, R2N R3 R4 X, Y, Z TAK1 IC50a
9 1-pyrrolidinyl 2-(OCHF2)benzyl 2-amino-2-oxoethyl N, CH, CH 0.9
10 1-pyrrolidinyl 2-(OCHF2)benzyl 2-(isopropylamino)-2-oxoethyl N, CH, CH 1.7
11 1-pyrrolidinyl 2-(OCHF2)benzyl oxazol-2-ylmethyl N, CH, CH 3.2
12 1-pyrrolidinyl 2-(OCHF2)benzyl methyl N, CH, CH 3.5
13 1-pyrrolidinyl 2-(OMe)benzyl 2-(methylamino)-2-oxoethyl N, CH, CH 2.8
14 1-pyrrolidinyl 2-(OEt)benzyl 2-(methylamino)-2-oxoethyl N, CH, CH 2.6
15 1-pyrrolidinyl (3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methyl 2-(methylamino)-2-oxoethyl N, CH, CH 3.4
16 1-pyrrolidinyl (1H-indol-4-yl)methyl 2-(methylamino)-2-oxoethyl N, CH, CH 1.8
17 N,N-dimethyl 2-(OCHF2)benzyl 2-(methylamino)-2-oxoethyl N, CH, CH 26
18 1-piperidinyl 2-(OCHF2)benzyl 2-(methylamino)-2-oxoethyl N, CH, CH 1.8
19 N-ethyl 2-(OCHF2)benzyl 2-(methylamino)-2-oxoethyl N, CH, CH >100
20 1-pyrrolidinyl 2-(OCHF2)benzyl 2-(methylamino)-2-oxoethyl N, N, CH 59
21 1-pyrrolidinyl 2-(OCHF2)benzyl 2-(methylamino)-2-oxoethyl NMe, CH, CH >100
a

Biochemical Lanthascreen assay with TAK1–TAB1 fusion protein in the presence of 10 μM ATP, mean IC50 values in μM, n = 2.