| Entry |
|
|---|
| Name |
Treprostinil palmitil (USAN/INN) |
|---|
| Formula |
C39H66O5
|
|---|
| Exact mass |
614.4910
|
|---|
| Mol weight |
614.94
|
|---|
| 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
D12005 Treprostinil palmitil (USAN/INN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG00161 Treprostinil
D12005 Treprostinil palmitil
Hormonal agent
DG01961 Prostaglandin derivative
DG01810 Prostacycline derivative
DG00161 Treprostinil
D12005 Treprostinil palmitil
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG00161 Treprostinil
D12005 Treprostinil palmitil
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D12005 Treprostinil palmitil (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12005
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 44
1 C1x C 16.0976 -18.1794
2 C1y C 16.8638 -19.4331
3 C1y C 18.1871 -18.9456
4 C1y C 18.1871 -17.5526
5 C1y C 16.8638 -17.0650
6 C1b C 19.3712 -19.7117
7 C1b C 20.5552 -18.9456
8 C1c C 21.7393 -19.7117
9 C1b C 22.9233 -18.9456
10 O1a O 21.7393 -21.1047
11 C1b C 24.1770 -19.7117
12 C1b C 25.3611 -18.9456
13 C1b C 26.5451 -19.7117
14 C1a C 27.7292 -18.9456
15 O1a O 16.3762 -20.7565
16 C1x C 19.2319 -16.6471
17 C8y C 19.0229 -15.2541
18 C8y C 17.6996 -14.7666
19 C1x C 16.6548 -15.6720
20 C8x C 20.0677 -14.4183
21 C8x C 19.8587 -13.0253
22 C8x C 18.5354 -12.5377
23 C8y C 17.4906 -13.4432
24 O2a O 16.3066 -12.7467
25 C1b C 15.1225 -13.4432
26 C7a C 13.9384 -12.7467
27 O7a O 12.6847 -13.4432
28 O6a O 13.9384 -11.3537
29 C1b C 11.4718 -12.7159
30 C1b C 10.2442 -13.3978
31 C1b C 9.0134 -12.6600
32 C1b C 7.7982 -13.3354
33 C1b C 6.5925 -12.6126
34 C1b C 5.3647 -13.2950
35 C1b C 4.1848 -12.5876
36 C1b C 2.9675 -13.2640
37 C1b C 2.9675 -14.6640
38 C1b C 4.1448 -15.3431
39 C1b C 5.3514 -14.6457
40 C1b C 6.5338 -15.3277
41 C1b C 7.7270 -14.6380
42 C1b C 8.9160 -15.3237
43 C1b C 10.1059 -14.6359
44 C1a C 11.2966 -15.3227
BOND 46
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 27 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 1
|
|---|