KEGG   DRUG: Elinogrel potassium
Entry
D09608                      Drug                                   

Name
Elinogrel potassium (USAN)
Formula
C20H14ClFN5O5S2. K
Exact mass
560.9746
Mol weight
562.0354
Structure
Simcomp
Class
Cardiovascular agent
 DG01809  P2Y12 receptor antagonist
Remark
Chemical structure group: DG01295
Efficacy
Platelet aggregation inhibitor, Purinergic receptor P2Y12 antagonist
Target
P2RY12 [HSA:64805] [KO:K04298]
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Purine / pyrimidine
    P2RY12
     D09608  Elinogrel potassium (USAN)
Other DBs
CAS: 936501-01-8
PubChem: 124490348
ChEMBL: CHEMBL2105641
LigandBox: D09608
KCF data

ATOM        35
            1   C8y C    15.9600  -26.9500
            2   C8y C    15.9600  -28.3500
            3   C8x C    17.1500  -29.0500
            4   C8y C    18.3400  -28.3500
            5   C8y C    18.3400  -26.9500
            6   C8x C    17.1500  -26.2500
            7   N4x N    19.5300  -29.0500
            8   C8y C    20.7200  -28.3500
            9   N4y N    20.7200  -26.9500
            10  C8y C    19.5300  -26.2500
            11  C8y C    21.9100  -26.2500
            12  O5x O    19.5300  -24.8500
            13  O5x O    21.9100  -29.0500
            14  X   F    14.7700  -26.2500
            15  N1b N    14.7700  -29.0500
            16  C1a C    13.5800  -28.3500
            17  C8x C    23.1000  -26.9500
            18  C8x C    24.3600  -26.2500
            19  C8y C    24.3600  -24.8500
            20  C8x C    23.1700  -24.1500
            21  C8x C    21.9100  -24.8500
            22  N1b N    25.5500  -24.1500
            23  C5a C    26.7400  -24.8500
            24  N1b N    27.9300  -24.1500 #-
            25  O5a O    26.7400  -26.2500
            26  S4a S    29.1200  -24.8500
            27  C8y C    30.3100  -24.1500
            28  C8x C    32.1300  -22.8200
            29  C8x C    30.7300  -22.8200
            30  S2x S    31.4300  -24.9900
            31  C8y C    32.5500  -24.1500
            32  X   Cl   33.7400  -24.8500
            33  O3c O    28.4200  -26.2500
            34  O3c O    29.8200  -26.2500
            35  Z   K    27.8600  -22.7500 #+
BOND        37
            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 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   10  12 2
            14    8  13 2
            15    1  14 1
            16    2  15 1
            17   15  16 1
            18   11  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   11  21 2
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 1
            29   26  27 1
            30   28  29 1
            31   29  27 2
            32   27  30 1
            33   30  31 1
            34   28  31 2
            35   31  32 1
            36   26  33 2
            37   26  34 2

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