KEGG   DRUG: Edoxaban tosilate hydrate
Entry
D09546                      Drug                                   
Name
Edoxaban tosilate hydrate (JAN);
Edoxaban tosylate monohydrate;
Lixiana (TN);
Savaysa (TN)
Product
SAVAYSA (Daiichi Sankyo)
Formula
C24H30ClN7O4S. C7H8O3S. H2O
Exact mass
737.2068
Mol weight
738.2744
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 3339
ATC code: B01AF03
Chemical structure group: DG01398
Product (DG01398): D09546<JP/US>
Efficacy
Antithrombotic, Factor Xa inhibitor
Target
F10 [HSA:2159] [KO:K01314]
  Pathway
hsa04610  Complement and coagulation cascades
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
Structure map
map07049  Antithrombosis agents
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
      D09546  Edoxaban tosilate hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   Factor Xa Inhibitors, Direct
    Edoxaban
     D09546  Edoxaban tosilate hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   333  Anticoagulants
    3339  Others
     D09546  Edoxaban tosilate hydrate (JAN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    DG01398  Edoxaban
     D09546  Edoxaban tosilate hydrate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01398  Edoxaban
    D09546  Edoxaban tosilate hydrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    F10
     D09546  Edoxaban tosilate hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09546
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09546
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09546
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09546
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D09546
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    DG01398  Edoxaban
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01398  Edoxaban
Other DBs
CAS: 1229194-11-9
PubChem: 96026226
ChEBI: 85974
LigandBox: D09546
KCF data

ATOM        49
            1   C1x C    21.8561  -21.8613
            2   C1y C    21.8561  -23.2674
            3   C1y C    23.0738  -23.9705
            4   C1x C    24.2916  -23.2674
            5   C1x C    24.2916  -21.8613
            6   C1y C    23.0738  -21.1583
            7   C5a C    23.0738  -19.7524
            8   O5a O    21.8393  -19.0394
            9   N1c N    24.2746  -19.0590
            10  C1a C    25.4670  -19.7473
            11  C1a C    24.2748  -17.6433
            12  N1b N    23.0738  -25.3764
            13  C5a C    24.2746  -26.0698
            14  C5a C    25.4670  -25.3814
            15  O5a O    24.2748  -27.4855
            16  N1b N    26.6636  -26.0724
            17  O5a O    25.4671  -23.9707
            18  C8y C    27.8581  -25.3827
            19  N5x N    29.0536  -26.0730
            20  C8x C    30.2714  -25.3701
            21  C8y C    30.2715  -23.9640
            22  C8x C    29.0760  -23.2737
            23  C8x C    27.8582  -23.9766
            24  X   Cl   31.5022  -23.2534
            25  N1b N    20.6384  -23.9705
            26  C5a C    19.4377  -23.2771
            27  C8y C    18.2451  -23.9656
            28  O5a O    19.4376  -21.8616
            29  N5x N    16.9838  -23.4037
            30  C8y C    16.0597  -24.4299
            31  C8y C    16.7499  -25.6259
            32  S2x S    18.1007  -25.3388
            33  C1x C    14.6535  -24.4297
            34  C1x C    13.9503  -25.6474
            35  N1y N    14.6407  -26.8434
            36  C1x C    16.0468  -26.8435
            37  C1a C    13.9271  -28.0795
            38  C8x C    35.0736  -23.9002
            39  C8x C    35.0736  -25.3063
            40  C8y C    36.2912  -26.0093
            41  C8x C    37.5090  -25.3063
            42  C8x C    37.5090  -23.9002
            43  C8y C    36.2912  -23.1971
            44  C1a C    36.2912  -27.4153
            45  S4a S    36.2912  -21.7912
            46  O1d O    37.6974  -21.7912
            47  O1d O    34.8851  -21.7912
            48  O1d O    36.2912  -20.3851
            49  O0  O    36.6906  -17.5727
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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Ontology (10)   
   KEGG BRITE (10)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
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