KEGG   DRUG: Treprostinil diolamine
Entry
D10430                      Drug                                   

Name
Treprostinil diolamine (USAN);
Orenitram (TN)
Product
Formula
C23H34O5. C4H11NO2
Exact mass
495.3196
Mol weight
495.6487
Structure
Simcomp
Remark
ATC code: B01AC21
Chemical structure group: DG00161
Product (DG00161): D06213<JP/US> D10430<US>
Efficacy
Antihypertensive, Prostaglandin I2 receptor agonist
  Disease
Pulmonary arterial hypertension [DS:H01621]
Comment
Prostacycline derivative
Treatment of pulmonary arterial hypertension
Target
PTGIR [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04611  Platelet activation
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
      D10430  Treprostinil diolamine (USAN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D10430  Treprostinil diolamine (USAN) <US>
Other DBs
CAS: 830354-48-8
PubChem: 172232523
ChEMBL: CHEMBL2107815
LinkDB
KCF data

ATOM        35
            1   N1b N    33.9271  -15.3198
            2   C1b C    32.6679  -16.0194
            3   C1b C    35.1164  -16.0194
            4   C1b C    31.4787  -15.3198
            5   C1b C    36.3056  -15.3198
            6   O1a O    30.2895  -16.0194
            7   O1a O    37.5648  -16.0194
            8   C1x C    16.8700  -18.6900
            9   C1y C    17.6400  -19.9500
            10  C1y C    18.9700  -19.4600
            11  C1y C    18.9700  -18.0600
            12  C1y C    17.6400  -17.5700
            13  C1b C    20.1600  -20.2300
            14  C1b C    21.3500  -19.4600
            15  C1c C    22.5400  -20.2300
            16  C1b C    23.7300  -19.4600
            17  O1a O    22.5400  -21.6300
            18  C1b C    24.9900  -20.2300
            19  C1b C    26.1800  -19.4600
            20  C1b C    27.3700  -20.2300
            21  C1a C    28.5600  -19.4600
            22  O1a O    17.1500  -21.2800
            23  C1x C    20.0200  -17.1500
            24  C8y C    19.8100  -15.7500
            25  C8y C    18.4800  -15.2600
            26  C1x C    17.4300  -16.1700
            27  C8x C    20.8600  -14.9100
            28  C8x C    20.6500  -13.5100
            29  C8x C    19.3200  -13.0200
            30  C8y C    18.2700  -13.9300
            31  O2a O    17.0800  -13.2300
            32  C1b C    15.8900  -13.9300
            33  C6a C    14.7000  -13.2300
            34  O6a O    13.4400  -13.9300
            35  O6a O    14.7000  -11.8300
BOND        36
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11    8  12 1
            12   10  13 1 #Up
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 1 #Down
            17   16  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21    9  22 1 #Down
            22   11  23 1 #Down
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   12  26 1 #Down
            27   24  27 2
            28   27  28 1
            29   28  29 2
            30   29  30 1
            31   25  30 2
            32   31  30 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   33  35 2

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