| Entry |
|
|---|
| Name |
Esuberaprost (USAN/INN) |
|---|
| Formula |
C24H30O5
|
|---|
| Exact mass |
398.2093
|
|---|
| Mol weight |
398.492
|
|---|
| 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
D10628 Esuberaprost (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1y C 15.0500 -20.0200
2 C1b C 21.0000 -20.8600
3 C3b C 22.2600 -20.0900
4 C3b C 23.5200 -19.2500
5 C2b C 16.1000 -20.8600
6 C2b C 17.4300 -20.0900
7 C1c C 18.6200 -20.8600
8 O1a O 18.6200 -22.2600
9 C1c C 19.8100 -20.0900
10 C1a C 19.8100 -19.0400
11 C1y C 15.0500 -18.6200
12 C1y C 13.7200 -18.2000
13 C1x C 12.8800 -19.3200
14 C1y C 13.7200 -20.4400
15 O1a O 13.3700 -21.8400
16 C1a C 25.2000 -18.2000
17 C8y C 15.8900 -17.5000
18 C8y C 15.0500 -16.3800
19 O2x O 13.7200 -16.8000
20 C8x C 17.2900 -17.3600
21 C8x C 17.8500 -16.0300
22 C8x C 17.0100 -14.9100
23 C8y C 15.6100 -15.0500
24 C1b C 14.7700 -13.9300
25 C1b C 13.3700 -13.9300
26 C1b C 12.6000 -12.8576
27 C6a C 11.2000 -12.8576
28 O6a O 10.2200 -11.6451
29 O6a O 10.5000 -14.0700
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
|
|---|
