| Entry |
|
|---|
| Name |
Treprostinil phosphate (USAN);
Treprostinil biphosphate |
|---|
| Formula |
C23H36O11P2
|
|---|
| Exact mass |
550.1733
|
|---|
| Mol weight |
550.4729
|
|---|
| Structure |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
Hormonal agent
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
|
|---|
| Remark |
| Product (DG00161): | D06213<JP/US> D10430<US> |
|
|---|
| Efficacy |
Antihypertensive, Prostaglandin I2 receptor agonist |
|---|
| Comment |
Treatment of pulmonary arterial hypertension
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Metabolism |
Enzyme: CYP2C8 [HSA: 1558]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AC Platelet aggregation inhibitors excl. heparin
B01AC21 Treprostinil
D12629 Treprostinil phosphate (USAN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG00161 Treprostinil
D12629 Treprostinil phosphate
Hormonal agent
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
DG00161 Treprostinil
D12629 Treprostinil phosphate
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00161 Treprostinil
D12629 Treprostinil phosphate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D12629 Treprostinil phosphate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12629
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG00161 Treprostinil
Hormonal agent
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
DG00161 Treprostinil
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00161 Treprostinil
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
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| KCF data |
ATOM 36
1 C1x C 14.5600 -16.0300
2 C1y C 15.3300 -17.2900
3 C1y C 16.6600 -16.8000
4 C1y C 16.6600 -15.4000
5 C1y C 15.3300 -14.9100
6 C1b C 17.8500 -17.5700
7 C1b C 19.0400 -16.8000
8 C1c C 20.2300 -17.5700
9 C1b C 21.3500 -16.8000
10 O2b O 20.2300 -18.9700
11 C1b C 22.6100 -17.5700
12 C1b C 23.8000 -16.8000
13 C1b C 24.9900 -17.5700
14 C1a C 26.1800 -16.8000
15 O2b O 14.8400 -18.6200
16 C1x C 17.7100 -14.4900
17 C8y C 17.5000 -13.0900
18 C8y C 16.1700 -12.6000
19 C1x C 15.1200 -13.5100
20 C8x C 18.5500 -12.2500
21 C8x C 18.3400 -10.8500
22 C8x C 17.0100 -10.3600
23 C8y C 15.9600 -11.2700
24 O2a O 14.7700 -10.5700
25 C1b C 13.5800 -11.2700
26 C6a C 12.3900 -10.5700
27 O6a O 11.1300 -11.2700
28 O6a O 12.3900 -9.1700
29 P1b P 19.0400 -19.6700
30 P1b P 13.4400 -18.8300
31 O1c O 13.7900 -20.2300
32 O1c O 13.0900 -17.5000
33 O1c O 12.1100 -19.2500
34 O1c O 17.7800 -20.3700
35 O1c O 19.7400 -20.8600
36 O1c O 18.3400 -18.4800
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 3 6 1 #Up
7 6 7 1
8 7 8 1
9 8 9 1
10 8 10 1 #Down
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 2 15 1 #Down
16 4 16 1 #Down
17 16 17 1
18 17 18 1
19 18 19 1
20 5 19 1 #Down
21 17 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 18 23 2
26 24 23 1
27 24 25 1
28 25 26 1
29 26 27 1
30 26 28 2
31 10 29 1
32 15 30 1
33 30 31 1
34 30 32 1
35 30 33 2
36 29 34 2
37 29 35 1
38 29 36 1
|
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