KEGG   DRUG: D09017Help
Entry
D09017                      Drug                                   

Name
Ticagrelor (USAN/INN);
Brilinta (TN)
Product
Formula
C23H28F2N6O4S
Exact mass
522.1861
Mol weight
522.568
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Prevention of thromboembolic events in patients with acute coronary syndrome
Remark
ATC code: 
Target
P2Y12 receptor antagonist [HSA:64805] [KO:K04298]
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Genomic biomarker: CYP2C19 [HSA:1557]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
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
     B01AC24 Ticagrelor
      D09017  Ticagrelor (USAN/INN)
USP drug classification [BR:br08302]
 Blood Products/Modifiers/Volume Expanders
  Platelet Modifying Agents
   Ticagrelor
    D09017  Ticagrelor (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2Y12 receptor
     Ticagrelor
      D09017  Ticagrelor (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A
   Ticagrelor
    D09017  Ticagrelor (USAN/INN)
 Inhbitors
  CYP3A
   Ticagrelor
    D09017  Ticagrelor (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
274693-27-5
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8y C    16.5612  -16.1984
            2   N5x N    16.5612  -17.6066
            3   C8y C    17.7582  -18.3108
            4   C8y C    19.0256  -17.6066
            5   C8y C    19.0256  -16.1984
            6   N5x N    17.7582  -15.4943
            7   N5x N    20.3634  -18.0291
            8   N5x N    21.1379  -16.9025
            9   N4y N    20.3634  -15.7759
            10  S2a S    15.3642  -15.4943
            11  C1b C    14.1672  -16.1984
            12  C1b C    12.9702  -15.4943
            13  C1a C    11.7732  -16.1984
            14  N1b N    17.7582  -19.7190
            15  C1y C    16.5612  -20.4231
            16  C1y C    15.1529  -20.4231
            17  C1x C    15.8570  -21.6201
            18  C8y C    13.9559  -19.7190
            19  C8x C    13.9559  -18.3108
            20  C8x C    12.7589  -17.6066
            21  C8y C    11.5619  -18.3108
            22  C8y C    11.5619  -19.7190
            23  C8x C    12.7589  -20.4231
            24  X   F    10.3649  -17.6066
            25  X   F    10.3649  -20.4231
            26  C1y C    20.8563  -14.4381
            27  C1x C    22.1941  -14.0156
            28  C1y C    22.1941  -12.6074
            29  C1y C    20.8563  -12.1145
            30  C1y C    20.0113  -13.2411
            31  O1a O    18.6031  -13.2411
            32  O1a O    20.4338  -10.7767
            33  C1b C    25.7851  -11.9033
            34  O1a O    26.9821  -12.6074
            35  C1b C    24.5881  -12.6074
            36  O2a O    23.3911  -11.9033
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    1  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    3  14 1
            16   15  14 1 #Down
            17   16  15 1
            18   17  16 1
            19   15  17 1
            20   16  18 1 #Up
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   21  24 1
            28   22  25 1
            29   26   9 1 #Up
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   26  30 1
            35   30  31 1 #Down
            36   29  32 1 #Down
            37   33  34 1
            38   33  35 1
            39   35  36 1
            40   28  36 1 #Up

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