KEGG   DRUG: Edoxaban tosylateHelp
Entry
D11568                      Drug                                   

Name
Edoxaban tosylate (USAN)
Formula
C24H30ClN7O4S. C7H8O3S
Exact mass
719.1963
Mol weight
720.2591
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: B01AF03
Chemical structure group: DG01398
Product (DG01398): D09546<JP/US>
Efficacy
Antithrombotic, Factor Xa inhibitor
Comment
Prophylaxis of thromboembolic complications associated with atrial fibrillation, treatment and prevention of VTE
Target
F10 [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AF Direct factor Xa inhibitors
     B01AF03 Edoxaban
      D11568  Edoxaban tosylate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    F10
     D11568  Edoxaban tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 480449-71-6
PubChem: 384585543
ChEMBL: CHEMBL2105682
KCF data Show

ATOM        48
            1   C1x C    14.6550  -15.1433
            2   C1y C    14.6550  -16.5390
            3   C1y C    15.9111  -17.2368
            4   C1x C    17.0975  -16.5390
            5   C1x C    17.0975  -15.1433
            6   C1y C    15.9111  -14.4454
            7   C5a C    15.9111  -13.0497
            8   O5a O    14.6550  -12.3519
            9   N1c N    17.0975  -12.3519
            10  C1a C    18.2838  -13.0497
            11  C1a C    17.0975  -10.9562
            12  N1b N    15.9111  -18.7023
            13  C5a C    17.0975  -19.3304
            14  C5a C    18.2838  -18.7023
            15  O5a O    17.0975  -20.7958
            16  N1b N    19.4701  -19.3304
            17  O5a O    18.2838  -17.2368
            18  C8y C    20.6565  -18.7023
            19  N5x N    21.8428  -19.3304
            20  C8x C    23.0292  -18.6325
            21  C8y C    23.0292  -17.2368
            22  C8x C    21.8428  -16.5390
            23  C8x C    20.6565  -17.3066
            24  X   Cl   24.2853  -16.5390
            25  N1b N    13.4687  -17.2368
            26  C5a C    12.2823  -16.6088
            27  C8y C    11.0960  -17.2368
            28  O5a O    12.2823  -15.1433
            29  N5x N     9.8399  -16.6785
            30  C8y C     8.8629  -17.7253
            31  C8y C     9.5607  -18.9117
            32  S2x S    10.9564  -18.6325
            33  C1x C     7.4672  -17.7253
            34  C1x C     6.7693  -18.9117
            35  N1y N     7.4672  -20.0980
            36  C1x C     8.8629  -20.0980
            37  C1a C     6.7693  -21.3541
            38  C8x C    27.8443  -17.1670
            39  C8x C    27.8443  -18.6325
            40  C8y C    29.0307  -19.3304
            41  C8x C    30.2868  -18.6325
            42  C8x C    30.2868  -17.1670
            43  C8y C    29.0307  -16.4692
            44  C1a C    29.0307  -20.7261
            45  S4a S    29.0307  -15.0735
            46  O1d O    30.4961  -15.0735
            47  O1d O    27.6350  -15.0735
            48  O1d O    29.0307  -13.6778
BOND        51
            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     6   7 1 #Up
            8     7   8 2
            9     7   9 1
            10    9  10 1
            11    9  11 1
            12    3  12 1 #Down
            13   12  13 1
            14   13  14 1
            15   13  15 2
            16   14  16 1
            17   14  17 2
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1
            26    2  25 1 #Down
            27   25  26 1
            28   26  27 1
            29   26  28 2
            30   27  29 2
            31   29  30 1
            32   30  31 2
            33   31  32 1
            34   27  32 1
            35   30  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   31  36 1
            40   35  37 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44   41  42 1
            45   42  43 2
            46   38  43 1
            47   40  44 1
            48   43  45 1
            49   45  46 2
            50   45  47 2
            51   45  48 1

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