KEGG   DRUG: CangrelorHelp
Entry
D03359                      Drug                                   

Name
Cangrelor (USAN/INN);
Kengreal (TN)
Product
Formula
C17H25Cl2F3N5O12P3S2
Exact mass
774.9483
Mol weight
776.3592
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
 DG01809  P2Y12 receptor antagonist
Remark
ATC code: B01AC25
Chemical structure group: DG01294
Product (DG01294): D03359<US>
Efficacy
Platelet aggregation inhibitor, Purinergic receptor P2Y12 antagonist
  Disease
Myocardial infarction [DS:H01730]
Target
P2RY12 [HSA:64805] [KO:K04298]
  Pathway
hsa04611  Platelet activation
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
     B01AC25 Cangrelor
      D03359  Cangrelor (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2RY12
     D03359  Cangrelor (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D03359
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03359
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03359
BRITE hierarchy
Other DBs
CAS: 163706-06-7
PubChem: 17397508
ChEBI: 90841
ChEMBL: CHEMBL334966
LigandBox: D03359
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8y C    16.3800  -17.5000
            2   N5x N    16.3800  -18.9000
            3   C8y C    17.5700  -19.6000
            4   C8y C    18.8300  -18.9000
            5   C8y C    18.8300  -17.5000
            6   N5x N    17.5700  -16.8000
            7   N5x N    20.1600  -19.3200
            8   C8x C    20.9300  -18.2000
            9   N4y N    20.1600  -17.0800
            10  S2a S    15.1900  -16.8000
            11  C1b C    14.0000  -17.5000
            12  C1b C    12.8100  -16.8000
            13  C1d C    11.6200  -17.5000
            14  N1b N    17.5700  -21.0000
            15  C1b C    16.3800  -21.7000
            16  C1y C    20.6500  -15.7500
            17  O2x O    21.9800  -15.3300
            18  C1y C    21.9800  -13.9300
            19  C1y C    20.6500  -13.4400
            20  C1y C    19.8100  -14.5600
            21  O1a O    18.4100  -14.5600
            22  O1a O    20.2300  -12.1100
            23  P1b P    25.5500  -13.2300
            24  O2b O    24.3600  -13.9300
            25  C1b C    23.1700  -13.2300
            26  C1b C    15.1900  -21.0000
            27  S2a S    14.0000  -21.7000
            28  C1a C    12.8100  -21.0000
            29  X   F    10.4300  -18.2000
            30  X   F    10.9200  -16.3100
            31  X   F    12.3200  -18.6900
            32  O2c O    26.7400  -13.9300
            33  P1b P    27.9300  -13.2300
            34  C1d C    29.1200  -13.9300
            35  P1b P    30.3100  -13.2300
            36  O1c O    31.5700  -13.9300
            37  O1c O    25.5500  -11.8300
            38  O1c O    25.5500  -14.6300
            39  O1c O    27.9300  -11.8300
            40  O1c O    27.9300  -14.6300
            41  X   Cl   29.1200  -15.3300
            42  X   Cl   29.1200  -12.5300
            43  O1c O    30.3100  -11.8300
            44  O1c O    30.3100  -14.6300
BOND        46
            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
            17   16   9 1 #Up
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   16  20 1
            23   20  21 1 #Down
            24   19  22 1 #Down
            25   23  24 1
            26   24  25 1
            27   18  25 1 #Up
            28   15  26 1
            29   26  27 1
            30   27  28 1
            31   13  29 1
            32   13  30 1
            33   13  31 1
            34   23  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   23  37 1
            40   23  38 2
            41   33  39 1
            42   33  40 2
            43   34  41 1
            44   34  42 1
            45   35  43 1
            46   35  44 2

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