KEGG   DRUG: Esuberaprost potassium
Entry
D11446                      Drug                                   

Name
Esuberaprost potassium (USAN)
Formula
C24H29O5. K
Exact mass
436.1652
Mol weight
436.5824
Structure
Simcomp
Remark
Chemical structure group: DG01839
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
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D11446  Esuberaprost potassium (USAN)
Other DBs
CAS: 1416252-97-5
PubChem: 384585423
ChEMBL: CHEMBL4298145
KCF data

ATOM        30
            1   C1y C    16.0434  -19.1823
            2   C1b C    21.9026  -20.0193
            3   C3b C    23.1582  -19.2520
            4   C3b C    24.3440  -18.4150
            5   C2b C    17.0897  -20.0193
            6   C2b C    18.4150  -19.2520
            7   C1c C    19.5311  -20.0193
            8   O1a O    19.5311  -21.4144
            9   C1c C    20.7169  -19.2520
            10  C1a C    20.7169  -18.2057
            11  C1y C    16.0434  -17.7872
            12  C1y C    14.7879  -17.4385
            13  C1x C    13.9508  -18.4848
            14  C1y C    14.7879  -19.6008
            15  O1a O    14.4391  -20.9959
            16  C1a C    26.0181  -17.4385
            17  C8y C    16.8804  -16.7409
            18  C8y C    16.0434  -15.6249
            19  O2x O    14.7879  -16.0434
            20  C8x C    18.2755  -16.6014
            21  C8x C    18.8335  -15.2761
            22  C8x C    17.9965  -14.1601
            23  C8y C    16.6014  -14.2996
            24  C1b C    15.7644  -13.2533
            25  C1b C    14.4391  -13.2533
            26  C1b C    13.6718  -12.2070
            27  C6a C    12.2768  -12.2070
            28  O6a O    11.3002  -10.9514 #-
            29  O6a O    11.5792  -13.3928
            30  Z   K     9.5900  -10.8500 #+
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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