KEGG   DRUG: Esuberaprost
Entry
D10628                      Drug                                   

Name
Esuberaprost (USAN/INN)
Formula
C24H30O5
Exact mass
398.2093
Mol weight
398.492
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
     D10628  Esuberaprost (USAN/INN)
Other DBs
CAS: 94132-88-4
PubChem: 254741589
ChEMBL: CHEMBL1205415 CHEMBL1207745 CHEMBL3137314
KCF data

ATOM        29
            1   C1y C    15.0500  -20.0200
            2   C1b C    21.0000  -20.8600
            3   C3b C    22.2600  -20.0900
            4   C3b C    23.5200  -19.2500
            5   C2b C    16.1000  -20.8600
            6   C2b C    17.4300  -20.0900
            7   C1c C    18.6200  -20.8600
            8   O1a O    18.6200  -22.2600
            9   C1c C    19.8100  -20.0900
            10  C1a C    19.8100  -19.0400
            11  C1y C    15.0500  -18.6200
            12  C1y C    13.7200  -18.2000
            13  C1x C    12.8800  -19.3200
            14  C1y C    13.7200  -20.4400
            15  O1a O    13.3700  -21.8400
            16  C1a C    25.2000  -18.2000
            17  C8y C    15.8900  -17.5000
            18  C8y C    15.0500  -16.3800
            19  O2x O    13.7200  -16.8000
            20  C8x C    17.2900  -17.3600
            21  C8x C    17.8500  -16.0300
            22  C8x C    17.0100  -14.9100
            23  C8y C    15.6100  -15.0500
            24  C1b C    14.7700  -13.9300
            25  C1b C    13.3700  -13.9300
            26  C1b C    12.6000  -12.8576
            27  C6a C    11.2000  -12.8576
            28  O6a O    10.2200  -11.6451
            29  O6a O    10.5000  -14.0700
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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