KEGG   DRUG: Treprostinil palmitil
Entry
D12005                      Drug                                   
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
ATC code: B01AC21
Chemical structure group: DG00161
Product (DG00161): D06213<JP/US> D10430<US>
Efficacy
Antihypertensive, Prostaglandin I2 receptor agonist
Comment
Treatment of pulmonary arterial hypertension
Target
PTGIR [HSA:5739] [KO:K04263]
  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
CAS: 1706528-83-7
PubChem: 497620418
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

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