| Entry |
|
|---|
| Name |
Carmegliptin dihydrochloride (USAN) |
|---|
| Formula |
C20H28FN3O3. 2HCl
|
|---|
| Exact mass |
449.1648
|
|---|
| Mol weight |
450.37
|
|---|
| 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
D09326 Carmegliptin dihydrochloride
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Prolyl oligopeptidase family
DPP4 (CD26)
D09326 Carmegliptin dihydrochloride (USAN)
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
DG01281 Carmegliptin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 18.8300 -24.4300
2 C8y C 18.8300 -25.8300
3 C8x C 20.0900 -26.5300
4 C8y C 21.2800 -25.8300
5 C8y C 21.2800 -24.4300
6 C8x C 20.0900 -23.7300
7 O2a O 17.6400 -23.7300
8 C1a C 16.4500 -24.4300
9 O2a O 17.6400 -26.5300
10 C1a C 16.4500 -25.8300
11 C1x C 22.4700 -26.5300
12 C1x C 23.7300 -25.8300
13 N1y N 23.7300 -24.4300
14 C1y C 22.4700 -23.7300
15 C1x C 24.9200 -23.7300
16 C1y C 24.9200 -22.3300
17 C1y C 23.7300 -21.6300
18 C1x C 22.4700 -22.3300
19 N1a N 23.7300 -20.1600
20 N1y N 26.1800 -21.5600
21 C1x C 27.3000 -22.4000
22 C1y C 28.4200 -21.5600
23 C1x C 28.0000 -20.2300
24 C5x C 26.6000 -20.2300
25 C1b C 29.7500 -21.9800
26 X F 30.7300 -21.0700
27 O5x O 25.7600 -19.1100
28 X Cl 32.9000 -23.5900
29 X Cl 32.9000 -25.5500
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
|
|---|
