KEGG   DRUG: Trimoprostil
Entry
D06240                      Drug                                   

Name
Trimoprostil (USAN/INN)
Formula
C23H38O4
Exact mass
378.277
Mol weight
378.5454
Structure
Simcomp
Efficacy
Antisecretory (gastric acid)
Comment
Prostaglandin derivative
Target
PTGER2 [HSA:5732] [KO:K04259]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D06240  Trimoprostil (USAN/INN)
Other DBs
CAS: 69900-72-7
PubChem: 47207898
ChEMBL: CHEMBL2104498
LigandBox: D06240
NIKKAJI: J134.088C
LinkDB
KCF data

ATOM        27
            1   C1y C    16.8000  -12.2500
            2   C1y C    16.8000  -10.8500
            3   C5x C    15.4685  -10.4174
            4   C1x C    14.6456  -11.5500
            5   C1y C    15.4685  -12.6826
            6   C1a C    15.0397  -14.0022
            7   C1b C    17.9326  -10.0271
            8   C2b C    17.9326  -13.0729
            9   O5x O    15.0397   -9.0978
            10  C2b C    19.1947  -12.5111
            11  C1c C    20.3264  -13.3336
            12  C1d C    21.5952  -12.7685
            13  C1b C    22.7364  -13.5978
            14  C2b C    17.9244   -8.6166
            15  C2b C    19.1323   -7.9098
            16  C1b C    20.3319   -8.5933
            17  C1b C    21.5093   -7.9046
            18  C1b C    22.7134   -8.5907
            19  C6a C    23.8886   -7.9034
            20  O6a O    25.0936   -8.5903
            21  O6a O    23.8807   -6.5100
            22  O1a O    20.1826  -14.6951
            23  C1a C    22.5851  -11.7786
            24  C1a C    20.6053  -11.7786
            25  C1b C    24.0334  -13.0207
            26  C1b C    25.1501  -13.8325
            27  C1a C    26.4023  -13.2759
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1 #Down
            7     2   7 1 #Down
            8     1   8 1 #Up
            9     3   9 2
            10    8  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    7  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 2
            22   11  22 1 #Down
            23   12  23 1
            24   12  24 1
            25   13  25 1
            26   25  26 1
            27   26  27 1

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