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) [HSA:1071] [KO:K16835]
    Anacetrapib
     D08855  Anacetrapib (USAN)
BRITE hierarchy
Other DBs
CAS: 
875446-37-0
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        44
            1   C8x C    23.0300  -17.2900
            2   C8y C    23.0300  -18.6900
            3   C8y C    24.2424  -19.3900
            4   C8x C    25.4549  -18.6900
            5   C8y C    25.4549  -17.2900
            6   C8y C    24.2424  -16.5900
            7   C8y C    24.2424  -15.1902
            8   C8x C    25.4380  -14.4997
            9   C8x C    25.4378  -13.0997
            10  C8y C    24.2253  -12.3999
            11  C8x C    23.0298  -13.0903
            12  C8y C    23.0299  -14.4903
            13  C1b C    21.8178  -15.1903
            14  N1y N    20.6219  -14.4999
            15  C7x C    20.4747  -13.1010
            16  O7x O    19.0988  -12.8087
            17  C1y C    18.3956  -14.0269
            18  C1y C    19.3369  -15.0722
            19  C8y C    17.0205  -14.1713
            20  C8x C    16.1791  -13.0132
            21  C8y C    14.7868  -13.1596
            22  C8x C    14.2174  -14.4386
            23  C8y C    15.0588  -15.5967
            24  C8x C    16.4511  -15.4503
            25  C1d C    13.9583  -12.0193
            26  C1d C    14.4830  -16.8901
            27  X   F    12.9684  -13.0092
            28  X   F    14.9482  -11.0294
            29  X   F    12.9684  -11.0294
            30  X   F    13.7830  -18.1025
            31  X   F    15.7277  -17.5242
            32  X   F    13.2331  -16.2533
            33  O6a O    21.5008  -12.1763
            34  C1a C    19.0495  -16.4236
            35  C1d C    24.2252  -10.9900
            36  X   F    22.8252  -10.9900
            37  X   F    25.6252  -10.9900
            38  X   F    24.2252   -9.5900
            39  O2a O    26.6860  -16.5790
            40  C1a C    27.8912  -17.2747
            41  X   F    24.2424  -20.7898
            42  C1c C    21.8176  -19.3900
            43  C1a C    20.6221  -18.6996
            44  C1a C    21.8175  -20.7898
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     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   14  18 1
            21   17  19 1 #Up
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   21  25 1
            29   23  26 1
            30   25  27 1
            31   25  28 1
            32   25  29 1
            33   26  30 1
            34   26  31 1
            35   26  32 1
            36   15  33 2
            37   18  34 1 #Up
            38   10  35 1
            39   35  36 1
            40   35  37 1
            41   35  38 1
            42    5  39 1
            43   39  40 1
            44    3  41 1
            45    2  42 1
            46   42  43 1
            47   42  44 1

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