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. 2025 Aug 19;39(1):67. doi: 10.1007/s10822-025-00648-7

Table 4.

Designed 2-aminothiazol-4(5H)-one derivatives with 11β-HSD1 inhibitory activity predicted by the MLP 10-11-1 model

graphic file with name 10822_2025_648_Figa_HTML.gif
Compound R R1 R2 Predicted log I11β‐HSD1
7b graphic file with name 10822_2025_648_Figb_HTML.gif H CH3 1.3214
7c H C2H5 1.3654
7d H n-C3H7 1.9376
7e H CH(CH3)2 1.9213
7f CH3 CH3 1.9128
7 g H C6H5 1.8244
7 h H p-BrC6H4 1.3436
7i C5H10cycl 2.0133
7j C3H6cycl 1.9882
8a graphic file with name 10822_2025_648_Figc_HTML.gif H H 0.0000
8b H CH3 0.9940
8c H C2H5 1.0459
8d H n-C3H7 1.2294
8e H CH(CH3)2 1.8577
8f CH3 CH3 1.9598
8 g H C6H5 1.1073
8 h H p-BrC6H4 1.8062
8i C5H10cycl 1.9745
8j C3H6cycl 1.2989
9a graphic file with name 10822_2025_648_Figd_HTML.gif H H 0.0000
9b H CH3 1.2529
9c H C2H5 1.2989
9d H n-C3H7 1.4561
9e H CH(CH3)2 1.4561
9f CH3 CH3 2.0031
9 g H C6H5 1.3518
9 h H p-BrC6H4 1.9668
9i C5H10cycl 2.0226
9j C3H6cycl 1.9816
10a graphic file with name 10822_2025_648_Fige_HTML.gif H H 0.0000
10b H CH3 0.9889
10c H C2H5 1.0366
10d H n-C3H7 1.1541
10e H CH(CH3)2 1.1541
10f CH3 CH3 0.9889
10 g H C6H5 0.7169
10 h H p-BrC6H4 0.6904
10i C5H10cycl 1.8769
10j C3H6cycl 1.7425