| Entry |
|
|---|
| Name |
Pradigastat sodium (USAN) |
|---|
| Formula |
C25H23F3N3O2. Na
|
|---|
| Exact mass |
477.1640
|
|---|
| Mol weight |
477.45
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidyslipidemia (hypertriglyceridemic), Diacylglycerol acyltransferase 1 inhibitor |
|---|
| Comment |
Lowering of triglycerides in patients with chylomicronemia
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Acyltransferases
DGAT1
D10657 Pradigastat sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C1y C 19.2500 -9.8000
2 C8x C 9.4500 -16.8700
3 N5x N 9.4500 -18.2700
4 C8y C 10.6624 -18.9700
5 C8x C 11.8749 -18.2700
6 C8x C 11.8749 -16.8700
7 C8y C 10.6624 -16.1700
8 C8x C 13.0873 -14.7700
9 C8y C 11.8749 -14.0700
10 N1b N 10.6624 -14.7700
11 C8x C 14.2997 -14.0700
12 C8y C 14.2997 -12.6700
13 N5x N 13.0873 -11.9700
14 C8x C 11.8749 -12.6700
15 C8y C 15.5122 -11.9700
16 C8x C 16.7453 -12.6822
17 C8x C 17.9579 -11.9824
18 C8y C 17.9581 -10.5824
19 C8x C 16.7250 -9.8702
20 C8x C 15.5124 -10.5700
21 C1d C 10.6624 -20.3700
22 X F 12.0624 -20.3700
23 X F 9.2624 -20.3700
24 X F 10.6624 -21.7700
25 C1x C 20.4768 -10.4745
26 C1x C 21.6743 -9.7492
27 C1y C 21.6450 -8.3495
28 C1x C 20.4182 -7.6751
29 C1x C 19.2207 -8.4003
30 C1b C 22.8574 -7.6495
31 C6a C 24.0699 -8.3495
32 O6a O 24.0699 -9.7495 #-
33 O6a O 25.2823 -7.6495
34 Z Na 23.9400 -12.6700 #+
BOND 36
1 2 3 1
2 3 4 2
3 4 5 1
4 5 6 2
5 6 7 1
6 2 7 2
7 8 9 1
8 9 10 1
9 7 10 1
10 8 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 12 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 4 21 1
23 21 22 1
24 21 23 1
25 21 24 1
26 1 18 1 #Up
27 1 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 1 29 1
33 27 30 1 #Down
34 30 31 1
35 31 32 1
36 31 33 2
|
|---|
