| Entry |
|
|---|
| Name |
Carmegliptin (USAN/INN) |
|---|
| Formula |
C20H28FN3O3
|
|---|
| Exact mass |
377.2115
|
|---|
| Mol weight |
377.453
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
|
|---|
| 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
DG01281 Carmegliptin
D08631 Carmegliptin
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Peptidyl-peptidases
DPP4 (CD26)
D08631 Carmegliptin (USAN/INN)
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
DG01281 Carmegliptin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8y C 10.2200 -18.4100
2 C8y C 10.2200 -19.8100
3 C8x C 11.4324 -20.5100
4 C8y C 12.6449 -19.8100
5 C8y C 12.6449 -18.4100
6 C8x C 11.4324 -17.7100
7 O2a O 9.0076 -17.7100
8 C1a C 7.8121 -18.4004
9 O2a O 9.0076 -20.5100
10 C1a C 7.8121 -19.8196
11 C1x C 13.8573 -20.5100
12 C1x C 15.0697 -19.8100
13 N1y N 15.0697 -18.4100
14 C1y C 13.8573 -17.7100
15 C1x C 16.2822 -17.7100
16 C1y C 16.2822 -16.3100
17 C1y C 15.0697 -15.6100
18 C1x C 13.8573 -16.3100
19 N1a N 15.0697 -14.2101
20 N1y N 17.5153 -15.5978
21 C1x C 18.6494 -16.4092
22 C1y C 19.7679 -15.5824
23 C1x C 19.3271 -14.2632
24 C5x C 17.9362 -14.2747
25 C1b C 21.0850 -15.9987
26 X F 22.0943 -15.0756
27 O5x O 17.1021 -13.1438
BOND 30
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 1 7 1
8 7 8 1
9 2 9 1
10 9 10 1
11 4 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 5 14 1
16 13 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 14 18 1
21 17 19 1 #Down
22 16 20 1 #Up
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 20 24 1
28 22 25 1 #Down
29 25 26 1
30 24 27 2
|
|---|
