KEGG   DRUG: Vorapaxar sulfateHelp
Entry
D09766                      Drug                                   

Name
Vorapaxar sulfate (JAN/USAN);
Zontivity (TN)
Product
Formula
C29H33FN2O4. H2SO4
Exact mass
590.2098
Mol weight
590.6602
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Remark
ATC code: 
Chemical group: 
Efficacy
Platelet aggregation inhibitor, Coagulation factor II receptor (PAR1) antagonist
Target
F2R (PAR1) [HSA:2149] [KO:K03914]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
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
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC26 Vorapaxar
      D09766  Vorapaxar sulfate (JAN/USAN)
USP drug classification [BR:br08302]
 Blood Products/Modifiers/Volume Expanders
  Anticoagulants
   Vorapaxar
    D09766  Vorapaxar sulfate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thrombin
    coagulation factor II (thrombin) receptor (PAR1)
     Vorapaxar
      D09766  Vorapaxar sulfate (JAN/USAN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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
BRITE hierarchy
Other DBs
CAS: 
705260-08-8
PubChem: 
ChEBI: 
ChEMBL: 
LigandBox: 
KCF data Show

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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