KEGG   DRUG: Edoxaban
Entry
D09710                      Drug                                   
Name
Edoxaban (USAN/INN)
Formula
C24H30ClN7O4S
Exact mass
547.1769
Mol weight
548.0575
Structure
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01662  Factor Xa inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
Remark
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
      D09710  Edoxaban (USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01662  Factor Xa inhibitor
    DG01398  Edoxaban
     D09710  Edoxaban
 Transporter substrate
  DG01665  ABCB1 substrate
   DG01398  Edoxaban
    D09710  Edoxaban
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Serine peptidases
    F10
     D09710  Edoxaban (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09710
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D09710
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: 480449-70-5
PubChem: 124490450
ChEBI: 85973
LigandBox: D09710
LinkDB
KCF data

ATOM        37
            1   C1x C    19.6700  -24.9200
            2   C1y C    19.6700  -26.3200
            3   C1y C    20.9300  -27.0200
            4   C1x C    22.1200  -26.3200
            5   C1x C    22.1200  -24.9200
            6   C1y C    20.9300  -24.2200
            7   C5a C    20.9300  -22.8200
            8   O5a O    19.6700  -22.1200
            9   N1c N    22.1200  -22.1200
            10  C1a C    23.3100  -22.8200
            11  C1a C    22.1200  -20.7200
            12  N1b N    20.9300  -28.4900
            13  C5a C    22.1200  -29.1200
            14  C5a C    23.3100  -28.4900
            15  O5a O    22.1200  -30.5900
            16  N1b N    24.5000  -29.1200
            17  O5a O    23.3100  -27.0200
            18  C8y C    25.6900  -28.4900
            19  N5x N    26.8800  -29.1200
            20  C8x C    28.0700  -28.4200
            21  C8y C    28.0700  -27.0200
            22  C8x C    26.8800  -26.3200
            23  C8x C    25.6900  -27.0900
            24  X   Cl   29.3300  -26.3200
            25  N1b N    18.4800  -27.0200
            26  C5a C    17.2900  -26.3900
            27  C8y C    16.1000  -27.0200
            28  O5a O    17.2900  -24.9200
            29  N5x N    14.8400  -26.4600
            30  C8y C    13.8600  -27.5100
            31  C8y C    14.5600  -28.7000
            32  S2x S    15.9600  -28.4200
            33  C1x C    12.4600  -27.5100
            34  C1x C    11.7600  -28.7000
            35  N1y N    12.4600  -29.8900
            36  C1x C    13.8600  -29.8900
            37  C1a C    11.7600  -31.1500
BOND        40
            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

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