KEGG   DRUG: Beraprost
Entry
D02720                      Drug                                   

Name
Beraprost (USAN)
Formula
C24H30O5
Exact mass
398.2093
Mol weight
398.492
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01810  Prostacycline derivative
Other
 DG01961  Prostaglandin derivative
  DG01810  Prostacycline derivative
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
Remark
ATC code: B01AC19
Chemical structure group: DG00160
Product (DG00160): D01551<JP>
Efficacy
Platelet aggregation inhibitor, Prostaglandin I2 receptor agonist
Comment
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
     B01AC19 Beraprost
      D02720  Beraprost (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D02720  Beraprost (USAN)
Other DBs
CAS: 88430-50-6
PubChem: 17396887
ChEBI: 135633
LigandBox: D02720
NIKKAJI: J375.046I
LinkDB
KCF data

ATOM        29
            1   C8y C    15.9561  -15.6378
            2   C8y C    16.6542  -16.8944
            3   C8x C    18.1203  -16.8944
            4   C8x C    18.8184  -15.6378
            5   C8x C    18.0505  -14.3812
            6   C8y C    16.6542  -14.3812
            7   C1y C    15.9561  -18.0812
            8   C1y C    14.6297  -17.6624
            9   C1y C    15.9561  -19.4775
            10  O2x O    14.6297  -16.2661
            11  C1x C    13.8617  -18.7794
            12  C1y C    14.6995  -19.8964
            13  C2b C    17.1429  -20.1756
            14  O1a O    14.2108  -21.2926
            15  C2b C    18.3297  -19.4775
            16  C1c C    19.5165  -20.1756
            17  C1c C    20.7034  -19.4775
            18  O1a O    19.5165  -21.5719
            19  C1b C    21.8902  -20.1756
            20  C3b C    23.1469  -19.4775
            21  C1a C    20.7034  -18.0812
            22  C1b C    15.9561  -13.1944
            23  C3b C    24.3337  -18.7794
            24  C1a C    25.5205  -18.0812
            25  C1b C    14.5599  -13.1944
            26  C1b C    13.8617  -12.0076
            27  C6a C    12.4655  -12.0076
            28  O6a O    11.7674  -10.8207
            29  O6a O    11.7674  -13.1944
BOND        31
            1     7   9 1
            2     7   2 1
            3     8  10 1
            4     8  11 1
            5     9  12 1
            6     9  13 1
            7    12  14 1
            8    13  15 2
            9    15  16 1
            10   16  17 1
            11   16  18 1
            12   17  19 1
            13   19  20 1
            14   10   1 1
            15   11  12 1
            16    5   6 2
            17   17  21 1
            18    6   1 1
            19    6  22 1
            20    1   2 2
            21    2   3 1
            22    3   4 2
            23    4   5 1
            24   20  23 3
            25    7   8 1
            26   23  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2

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KEGG   DRUG: Beraprost sodium
Entry
D01551                      Drug                                   

Name
Beraprost sodium (JP17/USAN);
Procylin (TN)
Formula
C24H29O5. Na
Exact mass
420.1913
Mol weight
420.4738
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01810  Prostacycline derivative
Other
 DG01961  Prostaglandin derivative
  DG01810  Prostacycline derivative
 DG02573  Prostanoid derivative
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
Remark
Therapeutic category: 2190 3399
ATC code: B01AC19
Chemical structure group: DG00160
Product (DG00160): D01551<JP>
Efficacy
Antihypertensive, Platelet aggregation inhibitor, Prostaglandin I2 receptor agonist
Comment
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
     B01AC19 Beraprost
      D01551  Beraprost sodium (JP17/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D01551  Beraprost sodium (JP17/USAN)
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   339  Miscellaneous
    3399  Others
     D01551  Beraprost sodium (JP17/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D01551  Beraprost sodium (JP17/USAN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01551  Beraprost sodium
  D01551  Beraprost sodium
Other DBs
CAS: 88475-69-8
PubChem: 7848614
ChEBI: 31270
LigandBox: D01551
NIKKAJI: J227.827H J470.227A
LinkDB
KCF data

ATOM        30
            1   C8y C    17.3439  -15.6088
            2   C8y C    18.0704  -16.8435
            3   C8x C    19.5032  -16.8315
            4   C8x C    20.2091  -15.5848
            5   C8x C    19.4824  -14.3501
            6   C8y C    18.0497  -14.3621
            7   C1y C    17.3730  -18.0855
            8   C1y C    16.0593  -17.6651
            9   C1y C    17.3672  -19.4753
            10  O2x O    16.0476  -16.2405
            11  C1x C    15.2534  -18.7922
            12  C1y C    16.0767  -19.9074
            13  C2b C    18.5700  -20.1585
            14  O1a O    15.6331  -21.2621
            15  C2b C    19.7612  -19.4753
            16  C1c C    20.9523  -20.1585
            17  C1c C    22.1436  -19.4753
            18  O1a O    20.9523  -21.5306
            19  C1b C    23.3347  -20.1585
            20  C3b C    24.5434  -19.4753
            21  C1a C    22.1436  -18.0782
            22  C1b C    17.3412  -13.1581
            23  C3b C    25.7470  -18.7697
            24  C1a C    26.9522  -18.0632
            25  C1b C    15.9723  -13.1698
            26  C1b C    15.2605  -11.9610
            27  C6a C    13.8713  -11.9730
            28  O6a O    13.1621  -10.7687 #-
            29  O6a O    13.1798  -13.1948
            30  Z   Na   10.3574  -10.7860 #+
BOND        31
            1     7   9 1
            2     7   2 1
            3     8  10 1
            4     8  11 1
            5     9  12 1
            6     9  13 1
            7    12  14 1
            8    13  15 2
            9    15  16 1
            10   16  17 1
            11   16  18 1
            12   17  19 1
            13   19  20 1
            14   10   1 1
            15   11  12 1
            16    5   6 2
            17   17  21 1
            18    6   1 1
            19    6  22 1
            20    1   2 2
            21    2   3 1
            22    3   4 2
            23    4   5 1
            24   20  23 3
            25    7   8 1
            26   23  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2

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