KEGG   DRUG: D10121Help
Entry
D10121                      Drug                                   

Name
Evacetrapib (USAN)
Formula
C31H36F6N6O2
Exact mass
638.2804
Mol weight
638.647
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of high cholesterol and preventing cardiac events
Target
cholesteryl ester transfer protein (CETP) inhibitor [HSA:1071] [KO:K16835]
Brite
Target-based classification of drugs [BR:br08310]
 Others
  Lipid transfer proteins
   cholesteryl ester transfer protein (CETP)
    Evacetrapib
     D10121  Evacetrapib (USAN)
BRITE hierarchy
Other DBs
CAS: 
1186486-62-3
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        45
            1   C8y C    17.9900  -21.4200
            2   C8x C    17.9900  -22.8200
            3   C8y C    16.8000  -23.5200
            4   C8x C    15.5400  -22.8200
            5   C8y C    15.5400  -21.4200
            6   C8x C    16.8000  -20.7200
            7   C1b C    19.1800  -20.7200
            8   N1c N    20.3700  -21.4200
            9   C8y C    20.3700  -22.8200
            10  N5x N    21.4900  -23.6600
            11  N4y N    21.0700  -24.9200
            12  N5x N    19.7400  -24.9200
            13  N5x N    19.2500  -23.6600
            14  C1a C    21.9100  -26.0400
            15  C1y C    21.5600  -20.7200
            16  C8x C    19.5300  -17.0100
            17  C8y C    18.8300  -18.2700
            18  C8x C    19.5300  -19.4600
            19  C8y C    21.0000  -19.4600
            20  C8y C    21.7000  -18.2000
            21  C8y C    20.9300  -17.0100
            22  N1y N    23.1000  -17.9200
            23  C1x C    24.0800  -18.9000
            24  C1x C    24.0100  -20.3000
            25  C1x C    22.8900  -21.0700
            26  C1a C    17.4300  -18.2700
            27  C1a C    21.6300  -15.7500
            28  C1b C    23.5200  -16.5900
            29  C1y C    24.8500  -16.2400
            30  C1y C    27.3000  -14.8400
            31  C1x C    27.3000  -16.2400
            32  C1x C    26.1100  -16.9400
            33  C1x C    24.8500  -14.8400
            34  C1x C    26.1100  -14.1400
            35  C6a C    28.4900  -14.1400
            36  O6a O    29.6800  -14.8400
            37  O6a O    28.4900  -12.7400
            38  C1d C    16.8000  -24.9200
            39  X   F    18.2000  -24.9200
            40  X   F    15.4000  -24.9200
            41  X   F    16.8000  -26.3200
            42  C1d C    14.3500  -20.7200
            43  X   F    13.0900  -20.0200
            44  X   F    13.6500  -21.9100
            45  X   F    15.0500  -19.5300
BOND        49
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 1
            13   12  13 2
            14    9  13 1
            15   11  14 1
            16   15   8 1 #Down
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   23  24 1
            24   24  25 1
            25   22  23 1
            26   19  15 1
            27   20  22 1
            28   25  15 1
            29   17  26 1
            30   21  27 1
            31   22  28 1
            32   29  28 1 #Down
            33   30  31 1
            34   31  32 1
            35   32  29 1
            36   29  33 1
            37   33  34 1
            38   30  34 1
            39   30  35 1 #Up
            40   35  36 2
            41   35  37 1
            42    3  38 1
            43   38  39 1
            44   38  40 1
            45   38  41 1
            46    5  42 1
            47   42  43 1
            48   42  44 1
            49   42  45 1

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