| Entry |
|
|---|
| Name |
Denagliptin tosylate (USAN) |
|---|
| Formula |
C20H18F3N3O. C7H8O3S
|
|---|
| Exact mass |
545.1596
|
|---|
| Mol weight |
545.57
|
|---|
| Structure |
|
|---|
| Class |
|
|---|
| Efficacy |
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor |
|---|
| Comment |
Treatment of type 2 diabetes
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04974 | Protein digestion and absorption |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
D06578 Denagliptin tosylate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Peptidyl-peptidases
DPP4 (CD26)
D06578 Denagliptin tosylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 38
1 C8x C 42.6878 -31.0702
2 C8y C 42.6878 -32.4694
3 C8x C 41.4985 -33.1690
4 C8x C 40.2392 -32.4694
5 C8y C 40.2392 -31.0702
6 C8x C 41.4985 -30.3706
7 C8x C 37.8606 -32.4694
8 C8y C 37.8606 -31.0702
9 C1c C 39.0499 -30.3706
10 C8x C 36.6013 -33.1690
11 C8y C 35.4120 -32.4694
12 C8x C 35.4120 -31.0702
13 C8x C 36.6013 -30.3706
14 X F 43.8771 -33.1690
15 X F 34.2227 -33.1690
16 C1c C 39.0499 -28.9714
17 N1a N 37.8606 -28.2718
18 C5a C 40.2392 -28.2718
19 O5a O 41.4286 -28.9714
20 N1y N 40.2392 -26.8727
21 C1y C 39.1199 -26.0331
22 C1x C 39.5396 -24.7039
23 C1y C 40.9388 -24.7039
24 C1x C 41.4286 -26.0331
25 X F 41.6384 -23.4446
26 C3b C 37.7906 -26.4529
27 N3a N 36.4614 -26.8027
28 S4a S 47.1093 -31.2180
29 C8y C 47.1093 -29.7918
30 O1d O 47.1151 -32.6149
31 C8x C 45.9229 -29.0788
32 C8x C 48.2899 -29.0788
33 C8x C 45.9229 -27.6529
34 C8x C 48.2899 -27.6529
35 C8y C 47.1093 -26.9398
36 C1a C 47.1108 -25.5505
37 O1d O 45.7094 -31.2209
38 O1d O 48.5092 -31.2151
BOND 40
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 2 14 1
16 11 15 1
17 9 16 1
18 16 17 1 #Down
19 16 18 1
20 18 19 2
21 18 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 20 24 1
27 23 25 1 #Down
28 21 26 1 #Down
29 26 27 3
30 28 29 1
31 28 30 1
32 29 31 1
33 29 32 2
34 31 33 2
35 32 34 1
36 33 35 1
37 34 35 2
38 35 36 1
39 28 37 2
40 28 38 2
|
|---|
