Table 4.
Summary of the top ten fragments in the active set of DPP4 inhibitors
| Rank | IUPAC name | Structure | Fragment count |
|---|---|---|---|
| 1 | 1-ethyl-2-fluorobenzene |
|
617 |
| 2 | 2-amino-1-(pyrrolidin-1-yl)ethan-1-one |
|
597 |
| 3 | 1-(1,3-thiazolidin-3-yl)propan-1-one |
|
136 |
| 4 | 1-(pyrrolidin-1-yl)propan-1-one |
|
101 |
| 5 | Propylbenzene |
|
52 |
| 6 | 2-amino-N-methylpentanamide |
|
50 |
| 7 | 2,3,6-trimethylpyridine |
|
45 |
| 8 | (1-formylpyrrolidin-2-yl)boronic acid |
|
43 |
| 9 | 1-chloro-2-ethenylbenzene |
|
36 |
| 10 | 4-(1-ethylhydrazin-1-yl)-1-methylpiperazine |
|
32 |
Abbreviation: IUPAC, International Union of Pure and Applied Chemistry.