KEGG   DRUG: Cangrelor tetrasodium
Entry
D03361                      Drug                                   

Name
Cangrelor tetrasodium (USAN);
Kengreal (TN)
Product
Formula
C17H21Cl2F3N5O12P3S2. 4Na
Exact mass
862.8761
Mol weight
864.2865
Structure
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): D03361<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
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
      D03361  Cangrelor tetrasodium (USAN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2RY12
     D03361  Cangrelor tetrasodium (USAN) <US>
Other DBs
CAS: 163706-36-3
PubChem: 17397510
ChEBI: 90836
ChEMBL: CHEMBL1097279
LigandBox: D03361
KCF data

ATOM        48
            1   Z   Na   24.2900  -23.1000 #+
            2   C8y C    12.3200  -22.2600
            3   N5x N    12.3200  -23.6600
            4   C8y C    13.5100  -24.3600
            5   C8y C    14.7700  -23.6600
            6   C8y C    14.7700  -22.2600
            7   N5x N    13.5100  -21.5600
            8   N5x N    16.1000  -24.0800
            9   C8x C    16.8700  -22.9600
            10  N4y N    16.1000  -21.8400
            11  S2a S    11.1300  -21.5600
            12  C1b C     9.9400  -22.2600
            13  C1b C     8.7500  -21.5600
            14  C1d C     7.5600  -22.2600
            15  N1b N    13.5100  -25.7600
            16  C1b C    12.3200  -26.4600
            17  C1y C    16.5900  -20.5100
            18  O2x O    17.9200  -20.0900
            19  C1y C    17.9200  -18.6900
            20  C1y C    16.5900  -18.2000
            21  C1y C    15.7500  -19.3200
            22  O1a O    14.3500  -19.3200
            23  O1a O    16.1700  -16.8700
            24  P1b P    21.5600  -17.9900
            25  O2b O    20.3000  -18.6900
            26  C1b C    19.1100  -17.9900
            27  C1b C    11.1300  -25.7600
            28  S2a S     9.9400  -26.4600
            29  C1a C     8.7500  -25.7600
            30  X   F     6.3700  -22.9600
            31  X   F     6.8600  -21.0700
            32  X   F     8.2600  -23.4500
            33  O2c O    22.7500  -18.6900
            34  P1b P    23.9400  -17.9900
            35  C1d C    25.1300  -18.6900
            36  P1b P    26.3200  -17.9900
            37  O1c O    27.5800  -18.6900 #-
            38  O1c O    21.5600  -16.5900 #-
            39  O1c O    21.5600  -19.3900
            40  O1c O    23.9400  -16.5900 #-
            41  O1c O    23.9400  -19.3900
            42  X   Cl   25.1300  -20.0900
            43  X   Cl   25.1300  -17.2900
            44  O1c O    26.3200  -16.5900 #-
            45  O1c O    26.3200  -19.3900
            46  Z   Na   24.2900  -23.1000 #+
            47  Z   Na   24.2900  -23.1000 #+
            48  Z   Na   24.2900  -23.1000 #+
BOND        46
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 1
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    4  15 1
            16   16  15 1
            17   17  10 1 #Up
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   17  21 1
            23   21  22 1 #Down
            24   20  23 1 #Down
            25   24  25 1
            26   25  26 1
            27   19  26 1 #Up
            28   16  27 1
            29   27  28 1
            30   28  29 1
            31   14  30 1
            32   14  31 1
            33   14  32 1
            34   24  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   24  38 1
            40   24  39 2
            41   34  40 1
            42   34  41 2
            43   35  42 1
            44   35  43 1
            45   36  44 1
            46   36  45 2
BRACKET     1    23.3100  -23.8700   23.3100  -22.1900
            1    25.9000  -22.1900   25.9000  -23.8700
            1  4
 ORIGINAL  1    1
 REPEAT    1   46  47  48

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