| Entry |
|
|---|
| Name |
Esuberaprost sodium (USAN) |
|---|
| Formula |
C24H29O5. Na
|
|---|
| Exact mass |
420.1913
|
|---|
| Mol weight |
420.4738
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypertensive, Prostaglandin I2 receptor agonist |
|---|
| Comment |
Prostacycline derivative
Treatment of pulmonary arterial hypertension
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D10703 Esuberaprost sodium (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1y C 18.4100 -19.7400
2 C1b C 24.2900 -20.5800
3 C3b C 25.5500 -19.8100
4 C3b C 26.7400 -18.9700
5 C2b C 19.4600 -20.5800
6 C2b C 20.7900 -19.8100
7 C1c C 21.9100 -20.5800
8 O1a O 21.9100 -21.9800
9 C1c C 23.1000 -19.8100
10 C1a C 23.1000 -18.7600
11 C1y C 18.4100 -18.3400
12 C1y C 17.1500 -17.9900
13 C1x C 16.3100 -19.0400
14 C1y C 17.1500 -20.1600
15 O1a O 16.8000 -21.5600
16 C1a C 28.4200 -17.9900
17 C8y C 19.2500 -17.2900
18 C8y C 18.4100 -16.1700
19 O2x O 17.1500 -16.5900
20 C8x C 20.6500 -17.1500
21 C8x C 21.2100 -15.8200
22 C8x C 20.3700 -14.7000
23 C8y C 18.9700 -14.8400
24 C1b C 18.1300 -13.7900
25 C1b C 16.8000 -13.7900
26 C1b C 16.0300 -12.7400
27 C6a C 14.6300 -12.7400
28 O6a O 13.6500 -11.4800 #-
29 O6a O 13.9300 -13.9300
30 Z Na 11.6900 -11.4100 #+
BOND 31
1 2 3 1
2 3 4 3
3 5 6 2
4 6 7 1
5 7 8 1 #Down
6 7 9 1
7 2 9 1
8 9 10 1 #Up
9 1 5 1 #Up
10 1 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 1 14 1
15 14 15 1 #Down
16 4 16 1
17 17 18 1
18 18 19 1
19 11 17 1 #Down
20 12 19 1 #Down
21 17 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 18 23 2
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 27 29 2
|
|---|
