KEGG   DRUG: Vorapaxar sulfate
Entry
D09766                      Drug                                   
Name
Vorapaxar sulfate (JAN/USAN);
Zontivity (TN)
Product
ZONTIVITY (WraSer Pharmaceuticals)
Formula
C29H33FN2O4. H2SO4
Exact mass
590.2098
Mol weight
590.6602
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Metabolizing enzyme substrate
 DG02954  CYP2J2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: B01AC26
Chemical structure group: DG01349
Product (DG01349): D09766<US>
Efficacy
Platelet aggregation inhibitor, Coagulation factor II receptor (PAR1) antagonist
  Disease
Myocardial infarction [DS:H01730]
Target
F2R (PAR1) [HSA:2149] [KO:K03914]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
hsa04611  Platelet activation
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2J2 [HSA:1573]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC26 Vorapaxar
      D09766  Vorapaxar sulfate (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Anticoagulants
   PAR-1 Antagonist
    Vorapaxar
     D09766  Vorapaxar sulfate (JAN/USAN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01349  Vorapaxar
     D09766  Vorapaxar sulfate
 Metabolizing enzyme substrate
  DG02954  CYP2J2 substrate
   DG01349  Vorapaxar
    D09766  Vorapaxar sulfate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01349  Vorapaxar
     D09766  Vorapaxar sulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thrombin
    F2R (PAR1)
     D09766  Vorapaxar sulfate (JAN/USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09766
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09766
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09766
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09766
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG01349  Vorapaxar
 Metabolizing enzyme substrate
  DG02954  CYP2J2 substrate
   DG01349  Vorapaxar
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG01349  Vorapaxar
Other DBs
CAS: 705260-08-8
PubChem: 124490506
ChEBI: 83314
LigandBox: D09766
LinkDB
KCF data

ATOM        41
            1   C1y C    20.7200  -24.1500
            2   C1y C    20.7200  -25.5500
            3   C1x C    21.9100  -26.2500
            4   C1y C    23.1700  -25.5500
            5   C1y C    23.1700  -24.1500
            6   C1y C    21.9100  -23.3800
            7   C1x C    24.3600  -26.2500
            8   C1y C    25.5500  -25.5500
            9   C1x C    25.5500  -24.1500
            10  C1x C    24.3600  -23.3800
            11  C2b C    21.9100  -21.9800
            12  N1b N    26.8100  -26.2500
            13  C7a C    28.0000  -25.5500
            14  O7a O    29.1900  -26.2500
            15  O6a O    28.0000  -24.1500
            16  C1b C    30.3800  -25.5500
            17  C1a C    31.5700  -26.2500
            18  C2b C    20.7200  -21.2800
            19  C8y C    20.7200  -19.8800
            20  C8x C    21.9100  -19.1800
            21  C8x C    21.9100  -17.7800
            22  C8y C    20.7200  -17.0800
            23  C8x C    19.5300  -17.7800
            24  N5x N    19.5300  -19.1800
            25  C8y C    20.7200  -15.6800
            26  C8x C    21.9100  -14.9800
            27  C8y C    21.9100  -13.5800
            28  C8x C    20.7200  -12.8800
            29  C8x C    19.5300  -13.5800
            30  C8x C    19.5300  -14.9800
            31  X   F    23.1000  -12.8800
            32  C1y C    19.3900  -23.6600
            33  O7x O    18.5500  -24.8500
            34  C7x C    19.3900  -25.9700
            35  C1a C    18.9700  -22.3300
            36  O6a O    18.9700  -27.3000
            37  S4a S    30.2400  -19.0400
            38  O1d O    31.6400  -19.0400
            39  O1d O    28.8400  -19.0400
            40  O1d O    30.2400  -17.6400
            41  O1d O    30.2400  -20.4400
BOND        44
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    6  11 1 #Up
            13    8  12 1 #Up
            14   12  13 1
            15   13  14 1
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   11  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   27  31 1
            35    1  32 1
            36   32  33 1
            37   33  34 1
            38    2  34 1
            39   32  35 1 #Down
            40   34  36 2
            41   37  38 1
            42   37  39 1
            43   37  40 2
            44   37  41 2

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