| Entry |
|
|---|
| Name |
Arbaprostil (USAN/INN) |
|---|
| Formula |
C21H34O5
|
|---|
| Exact mass |
366.2406
|
|---|
| Mol weight |
366.49
|
|---|
| 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
D02975 Arbaprostil (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 26
1 C1y C 25.0716 -16.2306
2 C1y C 25.0651 -17.6407
3 C5x C 23.7324 -15.7906
4 C1b C 26.3008 -15.0483
5 C1y C 23.7196 -18.0678
6 C2b C 26.2815 -18.3460
7 C1x C 22.9046 -16.9292
8 O5x O 23.2990 -14.4516
9 C2b C 27.5169 -15.7535
10 O1a O 23.2731 -19.1891
11 C2b C 27.4974 -17.6407
12 C2b C 28.9207 -15.7599
13 C1d C 28.7202 -18.3460
14 C1b C 30.1434 -15.0548
15 C1b C 29.9362 -17.6407
16 C1b C 31.3596 -15.7599
17 C1b C 31.1590 -18.3460
18 C1b C 32.5821 -15.0419
19 C1b C 32.3751 -17.6407
20 C1b C 33.5913 -18.3460
21 C1a C 34.8140 -17.6407
22 O1a O 27.5077 -19.0461
23 C1a C 29.9327 -19.0461
24 C6a C 33.7730 -15.7314
25 O6a O 34.9534 -15.0517
26 O6a O 33.7718 -17.1496
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1 #Down
10 6 11 2
11 9 12 2
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 19 20 1
20 20 21 1
21 5 7 1
22 13 22 1 #Up
23 13 23 1 #Down
24 18 24 1
25 24 25 1
26 24 26 2
|
|---|
