| Entry |
|
|---|
| Name |
Trelagliptin (USAN) |
|---|
| Formula |
C18H20FN5O2
|
|---|
| Exact mass |
357.1601
|
|---|
| Mol weight |
357.3821
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
| Product (DG01284): | D10179<JP> |
|
|---|
| Efficacy |
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor |
|---|
| Comment |
Treatment of type 2 diabetes
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04974 | Protein digestion and absorption |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
DG01284 Trelagliptin
D10178 Trelagliptin
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01284 Trelagliptin
D10178 Trelagliptin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Peptidyl-peptidases
DPP4 (CD26)
D10178 Trelagliptin (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10178
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
DG01284 Trelagliptin
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01284 Trelagliptin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 26
1 C8x C 23.8700 -25.9000
2 C8y C 23.8700 -27.3000
3 N4y N 22.6800 -28.0000
4 C8y C 21.4200 -27.3000
5 N4y N 21.4200 -25.9000
6 C8y C 22.6800 -25.2000
7 C1b C 20.2300 -25.2000
8 C8y C 19.0400 -25.9000
9 C8x C 19.0400 -27.3000
10 C8y C 17.7800 -28.0000
11 C8x C 16.5900 -27.3000
12 C8x C 16.5900 -25.9000
13 C8y C 17.7800 -25.2000
14 C3b C 17.7800 -23.8000
15 X F 17.7800 -29.4000
16 C1a C 22.6800 -29.4000
17 O5x O 25.0600 -28.0000
18 O5x O 20.2300 -28.0000
19 N1y N 22.6800 -23.8000
20 C1x C 21.4900 -23.1000
21 C1y C 21.4900 -21.7000
22 C1x C 22.6800 -21.0000
23 C1x C 23.8700 -21.7000
24 C1x C 23.8700 -23.1000
25 N3a N 17.7800 -22.4000
26 N1a N 20.2747 -21.0049
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 13 14 1
16 10 15 1
17 3 16 1
18 2 17 2
19 4 18 2
20 6 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 14 25 3
28 21 26 1 #Down
|
|---|
