| Entry |
|
|---|
| Name |
Ralinepag (USAN/INN) |
|---|
| Formula |
C23H26ClNO5
|
|---|
| Exact mass |
431.15
|
|---|
| Mol weight |
431.9092
|
|---|
| Structure |
|
|---|
| Efficacy |
Antihypertensive, Prostaglandin I2 receptor agonist |
|---|
| Comment |
non-prostanoid prostacyclin (IP) receptor agonist
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
D10725 Ralinepag (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C1y C 14.0170 -16.9400
2 C1x C 15.2166 -17.6327
3 C1x C 16.4291 -16.9328
4 C1y C 16.4292 -15.5328
5 C1x C 15.2296 -14.8401
6 C1x C 14.0171 -15.5400
7 C8x C 5.5300 -17.6400
8 C8y C 5.5300 -19.0400
9 C8x C 6.7424 -19.7400
10 C8x C 7.9549 -19.0400
11 C8y C 7.9549 -17.6400
12 C8x C 6.7424 -16.9400
13 X Cl 4.3176 -19.7400
14 N1c N 9.1673 -16.9400
15 C8y C 9.1673 -15.5400
16 C7a C 10.3797 -17.6400
17 C8x C 10.3818 -14.8388
18 C8x C 10.3818 -13.4388
19 C8x C 9.1693 -12.7388
20 C8x C 7.9549 -13.4400
21 C8x C 7.9549 -14.8400
22 O7a O 11.5922 -16.9400
23 O6a O 10.3797 -19.0400
24 C1b C 12.8046 -17.6400
25 C1b C 17.6416 -14.8328
26 O2a O 18.8541 -15.5328
27 C1b C 20.0665 -14.8328
28 C6a C 21.2789 -15.5328
29 O6a O 22.4914 -14.8328
30 O6a O 21.2789 -16.9328
BOND 32
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 8 13 1
14 11 14 1
15 14 15 1
16 14 16 1
17 15 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 15 21 1
23 16 22 1
24 16 23 2
25 22 24 1
26 1 24 1 #Down
27 4 25 1 #Up
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 28 30 2
|
|---|
