KEGG   DRUG: D08855Help
Entry
D08855                      Drug                                   

Name
Anacetrapib (USAN)
Formula
C30H25F10NO3
Exact mass
637.1675
Mol weight
637.5084
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of atherosclerosis
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)
    Anacetrapib
     D08855  Anacetrapib (USAN)
BRITE hierarchy
Other DBs
CAS: 
875446-37-0
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8y C    22.3300  -35.3500
            2   C8x C    22.3300  -36.7500
            3   C8y C    23.5200  -37.4500
            4   C8x C    24.7800  -36.7500
            5   C8y C    24.7800  -35.3500
            6   C8x C    23.5200  -34.6500
            7   C1y C    25.9700  -34.6500
            8   C1d C    23.5200  -38.8500
            9   C1d C    21.1400  -34.6500
            10  X   F    22.1200  -38.8500
            11  X   F    24.9200  -38.8500
            12  X   F    23.5200  -40.2500
            13  X   F    19.8800  -33.9500
            14  X   F    21.8400  -33.4600
            15  X   F    20.4400  -35.8400
            16  O7x O    27.0900  -35.4200
            17  C7x C    28.2100  -34.6500
            18  N1y N    27.7900  -33.3200
            19  C1y C    26.3900  -33.3200
            20  C1a C    25.5500  -32.2000
            21  O6a O    29.5400  -35.0700
            22  C1b C    28.9800  -32.6200
            23  C8y C    30.1700  -33.3200
            24  C8x C    30.1586  -34.7200
            25  C8y C    31.3653  -35.4298
            26  C8x C    32.6534  -34.7397
            27  C8x C    32.5948  -33.3397
            28  C8y C    31.3881  -32.6299
            29  C1d C    31.3376  -36.8198
            30  X   F    29.9376  -36.8198
            31  X   F    32.7376  -36.8198
            32  X   F    31.3376  -38.2198
            33  C8y C    31.3297  -31.2206
            34  C8y C    32.5529  -30.4873
            35  C8x C    32.5306  -29.0875
            36  C8y C    31.3072  -28.4069
            37  C8y C    30.0839  -29.1394
            38  C8x C    30.1063  -30.5392
            39  X   F    31.2849  -27.0200
            40  O2a O    33.7881  -31.1736
            41  C1a C    35.0155  -30.4381
            42  C1c C    28.8647  -28.4611
            43  C1a C    27.6325  -29.1985
            44  C1a C    28.8426  -27.0900
BOND        47
            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     7   5 1 #Down
            8     3   8 1
            9     1   9 1
            10    8  10 1
            11    8  11 1
            12    8  12 1
            13    9  13 1
            14    9  14 1
            15    9  15 1
            16    7  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20    7  19 1
            21   19  20 1 #Down
            22   17  21 2
            23   22  23 1
            24   22  18 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   25  29 1
            32   29  30 1
            33   29  31 1
            34   29  32 1
            35   28  33 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   33  38 1
            42   36  39 1
            43   34  40 1
            44   40  41 1
            45   37  42 1
            46   42  43 1
            47   42  44 1

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