KEGG   DRUG: Ticagrelor
Entry
D09017                      Drug                                   
Name
Ticagrelor (JAN/USAN/INN);
Brilinta (TN)
Product
BRILINTA (Aphena Pharma Solutions - Tennessee), BRILINTA (AstraZeneca Pharmaceuticals LP), BRILINTA (Cardinal Health 107)
  Generic
TICAGRELOR (Amneal Pharmaceuticals NY LLC)
Formula
C23H28F2N6O4S
Exact mass
522.1861
Mol weight
522.568
Structure
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01809  P2Y12 receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
Therapeutic category: 3399
ATC code: B01AC24
Product: D09017<JP/US>
Efficacy
Platelet aggregation inhibitor, Purinergic receptor P2Y12 antagonist
  Disease
Myocardial infarction [DS:H01730]
Comment
Prevention of thromboembolic events in patients with acute coronary syndrome
Target
P2RY12 [HSA:64805] [KO:K04298]
  Pathway
hsa04611  Platelet activation
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243]
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 (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Blood Products and Modifiers
  Platelet Modifying Agents
   Adenosine Diphosphate P2Y12 Inhibitors
    Ticagrelor
     D09017  Ticagrelor (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  33  Blood and body fluid agents
   339  Miscellaneous
    3399  Others
     D09017  Ticagrelor (JAN/USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    D09017  Ticagrelor
  DG01809  P2Y12 receptor antagonist
   D09017  Ticagrelor
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D09017  Ticagrelor
 Metabolizing enzyme inhibitor
  DG02852  CYP3A/CYP3A4 inhibitor
   D09017  Ticagrelor
 Transporter substrate
  DG01665  ABCB1 substrate
   D09017  Ticagrelor
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D09017  Ticagrelor
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2RY12
     D09017  Ticagrelor (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09017
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09017
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09017
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09017
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09017
 Drug transporters
  D09017
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D09017
Other DBs
CAS: 274693-27-5
PubChem: 96025700
ChEBI: 68558
PDB-CCD: TIQ[PDBj]
LigandBox: D09017
KCF data

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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   KEGG BRITE (11)   
Disease (1)   
   KEGG DISEASE (1)   
Drug (7)   
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   LigandBox (1)   
Chemical substance (4)   
   PubChem (1)   
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   HMDB (1)   
   PDB-CCD (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
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