KEGG   DRUG: Epoprostenol
Entry
D00106                      Drug                                   
Name
Epoprostenol (USAN/INN);
Prostaglandin I2;
Prostacyclin;
Epoprostenol (TN)
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01810  Prostacycline derivative
Remark
Same as: C01312
ATC code: B01AC09
Chemical structure group: DG00157
Product (DG00157): D01337<JP/US>
Efficacy
Platelet aggregation inhibitor, Prostaglandin I2 receptor agonist
  Disease
Pulmonary arterial hypertension [DS:H01621]
Comment
Eicosanoids, Prostacycline derivative
Target
PTGIR [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04611  Platelet activation
Interaction
Structure map
map07034  Eicosanoids
map07049  Antithrombosis agents
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
     B01AC09 Epoprostenol
      D00106  Epoprostenol (USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00157  Epoprostenol
     D00106  Epoprostenol
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
    DG00157  Epoprostenol
     D00106  Epoprostenol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D00106  Epoprostenol (USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00157  Epoprostenol
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
    DG00157  Epoprostenol
Other DBs
CAS: 35121-78-9
PubChem: 7847174
ChEBI: 15552
LigandBox: D00106
NIKKAJI: J17.550A
KCF data

ATOM        25
            1   C1y C    23.9400  -30.3100
            2   C1y C    22.6100  -29.8900
            3   C1y C    23.9400  -31.7100
            4   C1x C    24.6400  -29.0500
            5   O2x O    22.6100  -28.4200
            6   C1x C    21.8400  -31.0100
            7   C1y C    22.6800  -32.1300
            8   C2b C    25.1300  -32.4100
            9   C2y C    23.9400  -27.7900
            10  O1a O    22.1900  -33.4600
            11  C2b C    26.3200  -31.7100
            12  C2b C    25.1300  -27.0900
            13  C1c C    27.5100  -32.4100
            14  C1b C    28.7700  -31.7100
            15  O1a O    27.5100  -33.7400
            16  C1b C    29.9600  -32.4100
            17  C1b C    31.1500  -31.7100
            18  C1b C    32.3400  -32.4100
            19  C1a C    33.5300  -31.7100
            20  C1b C    25.2000  -25.6900
            21  C1b C    26.3900  -24.9900
            22  C1b C    26.3900  -23.5900
            23  C6a C    27.5800  -22.8900
            24  O6a O    28.8400  -23.5900
            25  O6a O    27.5800  -21.4900
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     7  10 1 #Down
            10    8  11 2
            11    9  12 2
            12   11  13 1
            13   13  14 1
            14   13  15 1 #Down
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19    5   9 1
            20    6   7 1
            21   12  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 2
            26   23  25 1

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