| Entry |
|
|---|
| Name |
Trimoprostil (USAN/INN) |
|---|
| Formula |
C23H38O4
|
|---|
| Exact mass |
378.277
|
|---|
| Mol weight |
378.5454
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antisecretory (gastric acid) |
|---|
| Comment |
Prostaglandin derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGER2
D06240 Trimoprostil (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1y C 16.8000 -12.2500
2 C1y C 16.8000 -10.8500
3 C5x C 15.4685 -10.4174
4 C1x C 14.6456 -11.5500
5 C1y C 15.4685 -12.6826
6 C1a C 15.0397 -14.0022
7 C1b C 17.9326 -10.0271
8 C2b C 17.9326 -13.0729
9 O5x O 15.0397 -9.0978
10 C2b C 19.1947 -12.5111
11 C1c C 20.3264 -13.3336
12 C1d C 21.5952 -12.7685
13 C1b C 22.7364 -13.5978
14 C2b C 17.9244 -8.6166
15 C2b C 19.1323 -7.9098
16 C1b C 20.3319 -8.5933
17 C1b C 21.5093 -7.9046
18 C1b C 22.7134 -8.5907
19 C6a C 23.8886 -7.9034
20 O6a O 25.0936 -8.5903
21 O6a O 23.8807 -6.5100
22 O1a O 20.1826 -14.6951
23 C1a C 22.5851 -11.7786
24 C1a C 20.6053 -11.7786
25 C1b C 24.0334 -13.0207
26 C1b C 25.1501 -13.8325
27 C1a C 26.4023 -13.2759
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Down
7 2 7 1 #Down
8 1 8 1 #Up
9 3 9 2
10 8 10 2
11 10 11 1
12 11 12 1
13 12 13 1
14 7 14 1
15 14 15 2
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 19 21 2
22 11 22 1 #Down
23 12 23 1
24 12 24 1
25 13 25 1
26 25 26 1
27 26 27 1
|
|---|
