| Entry |
|
|---|
| Name |
Treprostinil diolamine (USAN);
Orenitram (TN) |
|---|
| Product |
|
|---|
| Formula |
C23H34O5. C4H11NO2
|
|---|
| Exact mass |
495.3196
|
|---|
| Mol weight |
495.6487
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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 |
|---|
| Disease |
Pulmonary arterial hypertension [DS: H01621] |
|---|
| Comment |
Prostacycline derivative
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
D10430 Treprostinil diolamine (USAN) <US>
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG00161 Treprostinil
D10430 Treprostinil diolamine
Hormonal agent
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
DG00161 Treprostinil
D10430 Treprostinil diolamine
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00161 Treprostinil
D10430 Treprostinil diolamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D10430 Treprostinil diolamine (USAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10430
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 |
|
|---|
| KCF data |
ATOM 35
1 N1b N 33.9271 -15.3198
2 C1b C 32.6679 -16.0194
3 C1b C 35.1164 -16.0194
4 C1b C 31.4787 -15.3198
5 C1b C 36.3056 -15.3198
6 O1a O 30.2895 -16.0194
7 O1a O 37.5648 -16.0194
8 C1x C 16.8700 -18.6900
9 C1y C 17.6400 -19.9500
10 C1y C 18.9700 -19.4600
11 C1y C 18.9700 -18.0600
12 C1y C 17.6400 -17.5700
13 C1b C 20.1600 -20.2300
14 C1b C 21.3500 -19.4600
15 C1c C 22.5400 -20.2300
16 C1b C 23.7300 -19.4600
17 O1a O 22.5400 -21.6300
18 C1b C 24.9900 -20.2300
19 C1b C 26.1800 -19.4600
20 C1b C 27.3700 -20.2300
21 C1a C 28.5600 -19.4600
22 O1a O 17.1500 -21.2800
23 C1x C 20.0200 -17.1500
24 C8y C 19.8100 -15.7500
25 C8y C 18.4800 -15.2600
26 C1x C 17.4300 -16.1700
27 C8x C 20.8600 -14.9100
28 C8x C 20.6500 -13.5100
29 C8x C 19.3200 -13.0200
30 C8y C 18.2700 -13.9300
31 O2a O 17.0800 -13.2300
32 C1b C 15.8900 -13.9300
33 C6a C 14.7000 -13.2300
34 O6a O 13.4400 -13.9300
35 O6a O 14.7000 -11.8300
BOND 36
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 8 9 1
8 9 10 1
9 10 11 1
10 11 12 1
11 8 12 1
12 10 13 1 #Up
13 13 14 1
14 14 15 1
15 15 16 1
16 15 17 1 #Down
17 16 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 9 22 1 #Down
22 11 23 1 #Down
23 23 24 1
24 24 25 1
25 25 26 1
26 12 26 1 #Down
27 24 27 2
28 27 28 1
29 28 29 2
30 29 30 1
31 25 30 2
32 31 30 1
33 31 32 1
34 32 33 1
35 33 34 1
36 33 35 2
|
|---|
