KEGG   DRUG: Esuberaprost sodium
Entry
D10703                      Drug                                   

Name
Esuberaprost sodium (USAN)
Formula
C24H29O5. Na
Exact mass
420.1913
Mol weight
420.4738
Structure
Simcomp
Remark
Chemical structure group: DG01839
Efficacy
Antihypertensive, Prostaglandin I2 receptor agonist
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
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D10703  Esuberaprost sodium (USAN)
Other DBs
CAS: 152695-53-9
PubChem: 254741664
ChEMBL: CHEMBL3137337 CHEMBL435883 CHEMBL94694
KCF data

ATOM        30
            1   C1y C    18.4100  -19.7400
            2   C1b C    24.2900  -20.5800
            3   C3b C    25.5500  -19.8100
            4   C3b C    26.7400  -18.9700
            5   C2b C    19.4600  -20.5800
            6   C2b C    20.7900  -19.8100
            7   C1c C    21.9100  -20.5800
            8   O1a O    21.9100  -21.9800
            9   C1c C    23.1000  -19.8100
            10  C1a C    23.1000  -18.7600
            11  C1y C    18.4100  -18.3400
            12  C1y C    17.1500  -17.9900
            13  C1x C    16.3100  -19.0400
            14  C1y C    17.1500  -20.1600
            15  O1a O    16.8000  -21.5600
            16  C1a C    28.4200  -17.9900
            17  C8y C    19.2500  -17.2900
            18  C8y C    18.4100  -16.1700
            19  O2x O    17.1500  -16.5900
            20  C8x C    20.6500  -17.1500
            21  C8x C    21.2100  -15.8200
            22  C8x C    20.3700  -14.7000
            23  C8y C    18.9700  -14.8400
            24  C1b C    18.1300  -13.7900
            25  C1b C    16.8000  -13.7900
            26  C1b C    16.0300  -12.7400
            27  C6a C    14.6300  -12.7400
            28  O6a O    13.6500  -11.4800 #-
            29  O6a O    13.9300  -13.9300
            30  Z   Na   11.6900  -11.4100 #+
BOND        31
            1     2   3 1
            2     3   4 3
            3     5   6 2
            4     6   7 1
            5     7   8 1 #Down
            6     7   9 1
            7     2   9 1
            8     9  10 1 #Up
            9     1   5 1 #Up
            10    1  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    1  14 1
            15   14  15 1 #Down
            16    4  16 1
            17   17  18 1
            18   18  19 1
            19   11  17 1 #Down
            20   12  19 1 #Down
            21   17  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   18  23 2
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 2

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