KEGG   DRUG: Ralinepag
Entry
D10725                      Drug                                   

Name
Ralinepag (USAN/INN)
Formula
C23H26ClNO5
Exact mass
431.15
Mol weight
431.9092
Structure
Efficacy
Antihypertensive, Prostaglandin I2 receptor agonist
Comment
non-prostanoid prostacyclin (IP) receptor agonist
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
     D10725  Ralinepag (USAN/INN)
Other DBs
CAS: 1187856-49-0
PubChem: 254741686
ChEMBL: CHEMBL3301604
KCF data

ATOM        30
            1   C1y C    14.0170  -16.9400
            2   C1x C    15.2166  -17.6327
            3   C1x C    16.4291  -16.9328
            4   C1y C    16.4292  -15.5328
            5   C1x C    15.2296  -14.8401
            6   C1x C    14.0171  -15.5400
            7   C8x C     5.5300  -17.6400
            8   C8y C     5.5300  -19.0400
            9   C8x C     6.7424  -19.7400
            10  C8x C     7.9549  -19.0400
            11  C8y C     7.9549  -17.6400
            12  C8x C     6.7424  -16.9400
            13  X   Cl    4.3176  -19.7400
            14  N1c N     9.1673  -16.9400
            15  C8y C     9.1673  -15.5400
            16  C7a C    10.3797  -17.6400
            17  C8x C    10.3818  -14.8388
            18  C8x C    10.3818  -13.4388
            19  C8x C     9.1693  -12.7388
            20  C8x C     7.9549  -13.4400
            21  C8x C     7.9549  -14.8400
            22  O7a O    11.5922  -16.9400
            23  O6a O    10.3797  -19.0400
            24  C1b C    12.8046  -17.6400
            25  C1b C    17.6416  -14.8328
            26  O2a O    18.8541  -15.5328
            27  C1b C    20.0665  -14.8328
            28  C6a C    21.2789  -15.5328
            29  O6a O    22.4914  -14.8328
            30  O6a O    21.2789  -16.9328
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13    8  13 1
            14   11  14 1
            15   14  15 1
            16   14  16 1
            17   15  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   15  21 1
            23   16  22 1
            24   16  23 2
            25   22  24 1
            26    1  24 1 #Down
            27    4  25 1 #Up
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   28  30 2

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