Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine
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 PubChem ID
CID: 4369359
SID: 14904024
Canonical SMILES
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
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Compound Formula C16H15F6N5O
Compound Structure
Protein Name
 Protein Info 
Dipeptidyl peptidase 4
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease SC clan
>
Serine protease S9B subfamily
Uniprot ID
P27487
Gene Name
DPP4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 6.24 nM
   TI
   LI
   LO
   TS
2
IC50 = 6.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.5 nM
2 IC50 = 7 nM
3 IC50 = 7.8 nM
4 IC50 = 8.4 nM
5 IC50 = 8.8 nM
6 IC50 = 10 nM
7 IC50 = 12 nM
8 IC50 = 16 nM
9 IC50 = 17 nM
10 IC50 = 18 nM
11 IC50 = 19 nM
12 IC50 = 19.4 nM
13 IC50 = 20 nM
14 IC50 = 22 nM
15 IC50 = 24.83 nM
16 IC50 = 29 nM
17 IC50 = 30 nM
18 IC50 = 40 nM
19 IC50 = 46 nM
20 IC50 = 120 nM
21 Kd = 5.3 nM
22 Kd = 12.7 nM
23 Kd = 13.5 nM