KEGG   DRUG: Vorapaxar
Entry
D09765                      Drug                                   

Name
Vorapaxar (USAN/INN)
Formula
C29H33FN2O4
Exact mass
492.2424
Mol weight
492.5817
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Metabolizing enzyme substrate
 DG02954  CYP2J2 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
Comment
Treatment of thrombosis
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
      D09765  Vorapaxar (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thrombin
    F2R (PAR1)
     D09765  Vorapaxar (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09765
Other DBs
CAS: 618385-01-6
PubChem: 124490505
ChEBI: 82702
ChEMBL: CHEMBL4226439 CHEMBL493982
PDB-CCD: VPX[PDBj]
LigandBox: D09765
LinkDB
KCF data

ATOM        36
            1   C1y C    24.9200  -18.9000
            2   C1y C    24.9200  -20.3000
            3   C1x C    26.1100  -21.0000
            4   C1y C    27.3700  -20.3000
            5   C1y C    27.3700  -18.9000
            6   C1y C    26.1100  -18.2000
            7   C1x C    28.5600  -21.0000
            8   C1y C    29.7500  -20.3000
            9   C1x C    29.7500  -18.9000
            10  C1x C    28.5600  -18.2000
            11  C2b C    26.1100  -16.8000
            12  N1b N    30.9400  -21.0000
            13  C7a C    32.1300  -20.3000
            14  O7a O    33.3200  -21.0000
            15  O6a O    32.1300  -18.9000
            16  C1b C    34.5100  -20.3000
            17  C1a C    35.7000  -21.0000
            18  C2b C    24.9200  -16.1000
            19  C8y C    24.9200  -14.7000
            20  C8x C    26.1100  -14.0000
            21  C8x C    26.1100  -12.6000
            22  C8y C    24.9200  -11.9000
            23  C8x C    23.7300  -12.6000
            24  N5x N    23.7300  -14.0000
            25  C8y C    24.9200  -10.5000
            26  C8x C    26.1100   -9.8000
            27  C8y C    26.1100   -8.4000
            28  C8x C    24.9200   -7.7000
            29  C8x C    23.7300   -8.4000
            30  C8x C    23.7300   -9.8000
            31  X   F    27.3000   -7.7000
            32  C1y C    23.5885  -18.4674
            33  O7x O    22.7656  -19.6000
            34  C7x C    23.5885  -20.7326
            35  C1a C    23.1597  -17.1478
            36  O6a O    23.1597  -22.0522
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     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

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