KEGG   DRUG: Avatrombopag maleate
Entry
D10307                      Drug                                   
Name
Avatrombopag maleate (JAN/USAN);
Doptelet (TN)
Product
DOPTELET (AkaRx)
Formula
C29H34Cl2N6O3S2. C4H4O4
Exact mass
764.162
Mol weight
765.7268
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 3399
ATC code: B02BX08
Chemical structure group: DG01976
Product (DG01976): D10307<JP/US>
Efficacy
Antithrombocytopenia, Thrombopoietin receptor agonist
  Disease
Thrombocytopenia [DS:H00978]
Target
MPL (TPOR, CD110) [HSA:4352] [KO:K05082]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04630  JAK-STAT signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2C9 [HSA:1559]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B02 ANTIHEMORRHAGICS
   B02B VITAMIN K AND OTHER HEMOSTATICS
    B02BX Other systemic hemostatics
     B02BX08 Avatrombopag
      D10307  Avatrombopag maleate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Platelet Modifying Agents
   Platelet Modifying Agents, Other
    Avatrombopag
     D10307  Avatrombopag maleate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   339  Miscellaneous
    3399  Others
     D10307  Avatrombopag maleate (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG01976  Avatrombopag
    D10307  Avatrombopag maleate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01976  Avatrombopag
     D10307  Avatrombopag maleate
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Cytokine receptors
   CSF and other factor receptors
    MPL (TPOR, CD110)
     D10307  Avatrombopag maleate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10307
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10307
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10307
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10307
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D10307
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG01976  Avatrombopag
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01976  Avatrombopag
Other DBs
CAS: 677007-74-8
PubChem: 163312338
LinkDB
KCF data

ATOM        50
            1   C2b C    22.0162  -20.7007
            2   C2b C    23.4146  -20.7007
            3   C6a C    21.3169  -21.9117
            4   C6a C    24.1138  -21.9117
            5   O6a O    19.9187  -21.9117
            6   O6a O    22.0066  -23.1059
            7   O6a O    25.5121  -21.9117
            8   O6a O    23.4242  -23.1059
            9   C8y C    11.0600  -19.1100
            10  N5x N    12.4600  -19.1100
            11  C8y C    12.8800  -17.7800
            12  S2x S    11.7600  -16.9400
            13  C8y C    10.6400  -17.7800
            14  N1y N     9.3800  -17.0800
            15  C1x C     8.1900  -17.7800
            16  C5a C    15.3300  -17.7800
            17  N1b N    14.1400  -17.0800
            18  C1x C     9.3800  -15.6800
            19  C1x C     8.1900  -14.9800
            20  N1y N     7.0000  -15.6800
            21  C1x C     7.0000  -17.0800
            22  C8y C    16.5200  -17.0800
            23  C8x C    17.7100  -17.7800
            24  C8y C    18.9700  -17.0800
            25  C8y C    18.9700  -15.6800
            26  N5x N    17.7100  -14.9800
            27  C8x C    16.5200  -15.6800
            28  C1y C     5.7400  -14.9800
            29  C1x C     5.7400  -13.5800
            30  C1x C     4.5500  -12.8800
            31  C1x C     3.3600  -13.5800
            32  C1x C     3.3600  -14.9800
            33  C1x C     4.5500  -15.6800
            34  C8y C    10.2200  -20.2300
            35  S2x S     8.8200  -20.2300
            36  C8x C     8.4000  -21.5600
            37  C8y C     9.5200  -22.4000
            38  C8x C    10.6400  -21.5600
            39  X   Cl    9.5200  -23.7300
            40  O5a O    15.3300  -19.1800
            41  X   Cl   20.1600  -17.7800
            42  N1y N    20.1600  -14.9100
            43  C1x C    21.3500  -15.6100
            44  C1x C    22.5400  -14.9100
            45  C1y C    22.5400  -13.5100
            46  C1x C    21.3500  -12.8100
            47  C1x C    20.1600  -13.5100
            48  C6a C    23.8000  -12.8100
            49  O6a O    24.9900  -13.5100
            50  O6a O    23.7300  -11.4100
BOND        54
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 2
            7     4   8 1
            8     9  10 1
            9    10  11 2
            10   11  12 1
            11   12  13 1
            12    9  13 2
            13   13  14 1
            14   14  15 1
            15   16  17 1
            16   11  17 1
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   15  21 1
            22   16  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   25  26 1
            27   26  27 2
            28   22  27 1
            29   20  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   28  33 1
            36    9  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 2
            40   37  38 1
            41   34  38 2
            42   37  39 1
            43   16  40 2
            44   24  41 1
            45   25  42 1
            46   42  43 1
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   42  47 1
            52   45  48 1
            53   48  49 1
            54   48  50 2

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