KEGG   DRUG: TicagrelorHelp
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
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01809  P2Y12 receptor antagonist
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Unclassified
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Remark
ATC code: 
Activity
Platelet aggregation inhibitor, Purinergic receptor P2Y12 antagonist
Comment
Prevention of thromboembolic events in patients with acute coronary syndrome
Target
P2Y12 receptor [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]
 CYP inhbitors
  CYP3A
   Ticagrelor
    D09017  Ticagrelor (USAN/INN)
 CYP substrates
  CYP3A
   Ticagrelor
    D09017  Ticagrelor (USAN/INN)
 Transporter inhibitors
  ABCB1
   Ticagrelor
    D09017  Ticagrelor (USAN/INN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09017
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D09017
BRITE hierarchy
Other DBs
CAS: 
274693-27-5
PubChem: 
PDB-CCD: 
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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