KEGG   DRUG: D05727Help
Entry
D05727                      Drug                                   

Name
Ridogrel (USAN/INN)
Formula
C18H17F3N2O3
Exact mass
366.1191
Mol weight
366.3344
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Inhibitor [thromboxane synthetase]
Remark
Drug group: 
Target
thromboxane A2 (TXA2) receptor antagonist [HSA:6915] [KO:K04264];
thromboxane A2 (TXA2) synthase inhibitor [HSA:6916] [KO:K01832]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thromboxane
    thromboxane A2 (TXA2) receptor
     Ridogrel
      D05727  Ridogrel (USAN/INN)
 Enzymes
  Isomerases
   thromboxane A2 (TXA2) synthase
    Ridogrel
     D05727  Ridogrel (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
110140-89-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   N5x N    28.4358  -35.0758
            2   C8x C    28.4358  -36.4811
            3   C8x C    29.6528  -37.1837
            4   C8x C    30.8698  -36.4811
            5   C8y C    30.8698  -35.0758
            6   C8x C    29.6528  -34.3732
            7   C8x C    33.3037  -36.4811
            8   C8y C    33.3037  -35.0758
            9   C2c C    32.0868  -34.3732
            10  C8y C    34.5208  -37.1837
            11  C8x C    35.7378  -36.4811
            12  C8x C    35.7378  -35.0758
            13  C8x C    34.5208  -34.3732
            14  N2b N    32.0868  -32.9679
            15  O2a O    33.3058  -32.2641
            16  C1b C    34.5068  -32.9577
            17  C1b C    35.6981  -32.2699
            18  C1b C    36.8941  -32.9607
            19  C1b C    38.0880  -32.2714
            20  C6a C    39.2826  -32.9614
            21  O6a O    40.4771  -32.2718
            22  O6a O    39.2825  -34.3730
            23  C1d C    34.5207  -38.5700
            24  X   F    33.1207  -38.5700
            25  X   F    35.9207  -38.5700
            26  X   F    34.5207  -39.9700
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   10  23 1
            25   23  24 1
            26   23  25 1
            27   23  26 1

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