| Entry |
|
|---|
| Name |
Iloprost tromethamine;
Iloprost trometamol;
Ventavis (TN)
|
|---|
| Formula |
C22H32O4. C4H11NO3
|
|---|
| Exact mass |
481.304
|
|---|
| Mol weight |
481.6221
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG00158): | D02721<JP/US> |
|
|---|
| Efficacy |
Anticoagulant, Antihypertensive, Platelet aggregation inhibitor, Prostaglandin I2 receptor agonist |
|---|
| Comment |
Prostacycline derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04270 | Vascular smooth muscle contraction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07228 | Eicosanoid receptor agonists/antagonists |
|
|---|
| 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
B01AC11 Iloprost
D08065 Iloprost tromethamine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostacyclin
PTGIR
D08065 Iloprost tromethamine
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 34
1 C1b C 27.5562 -15.9840
2 C1d C 28.7702 -16.6849
3 O1a O 26.3422 -16.6849
4 C1b C 29.9673 -15.9936
5 O1a O 31.1563 -16.6800
6 C1b C 28.7703 -18.0866
7 N1a N 28.7938 -15.2833
8 O1a O 29.9675 -18.7779
9 C1x C 11.8300 -19.3200
10 C1y C 12.6700 -20.4400
11 C1y C 14.0000 -19.9500
12 C1y C 14.0000 -18.5500
13 C1y C 12.6700 -18.1300
14 O1a O 12.1800 -21.7700
15 C1x C 14.8400 -17.4300
16 C2y C 14.0000 -16.3100
17 C1x C 12.6700 -16.7300
18 C2b C 15.2600 -20.6500
19 C2b C 16.4500 -19.9500
20 C1c C 17.5700 -20.6500
21 C1c C 18.7600 -20.0200
22 C1b C 19.9500 -20.6500
23 C1a C 18.7600 -18.5500
24 C3b C 21.1400 -20.0200
25 C3b C 22.4000 -19.3200
26 C1a C 23.5900 -18.6200
27 O1a O 17.5700 -22.1200
28 C2b C 14.4200 -14.9800
29 C1b C 13.4400 -13.9300
30 C1b C 12.1100 -14.2100
31 C1b C 11.1300 -13.1600
32 C6a C 9.8000 -13.4400
33 O6a O 8.8900 -12.3900
34 O6a O 9.3800 -14.7700
BOND 34
1 1 2 1
2 1 3 1
3 2 4 1
4 4 5 1
5 2 6 1
6 2 7 1
7 6 8 1
8 9 10 1
9 10 11 1
10 11 12 1
11 12 13 1
12 9 13 1
13 10 14 1 #Down
14 12 15 1 #Down
15 15 16 1
16 16 17 1
17 13 17 1 #Down
18 11 18 1 #Up
19 18 19 2
20 19 20 1
21 20 21 1
22 21 22 1
23 21 23 1
24 22 24 1
25 24 25 3
26 25 26 1
27 20 27 1 #Down
28 16 28 2
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 33 1
34 32 34 2
|
|---|
