KEGG   DRUG: Abequolixron
Entry
D12298                      Drug                                   
Name
Abequolixron (USAN)
Formula
C34H33ClF3NO3
Exact mass
595.2101
Mol weight
596.0789
Structure
Remark
Chemical structure group: DG03218
Efficacy
Antineoplastic, LXR agonist
Target
NR1H2 (LXRB) [HSA:7376] [KO:K08535]
NR1H3 (LXRA) [HSA:10062] [KO:K08536]
  Pathway
hsa03320  PPAR signaling pathway
Other DBs
CAS: 610318-54-2
LinkDB
KCF data

ATOM        42
            1   C8y C     4.9000  -15.4000
            2   C1c C     6.1124  -14.7000
            3   C1b C     7.3249  -15.4000
            4   N1c N     8.5373  -14.7000
            5   C1c C     9.7497  -15.4000
            6   C1b C    10.9622  -14.7000
            7   C1b C    12.1746  -15.4000
            8   O2a O    13.3911  -14.6977
            9   C8y C    14.5886  -15.3892
            10  C8x C     3.6876  -14.7000
            11  C8x C     2.4751  -15.4000
            12  C8x C     2.4751  -16.8000
            13  C8x C     3.6876  -17.5000
            14  C8x C     4.9000  -16.8000
            15  C8y C     6.1124  -13.3002
            16  C8x C     7.3080  -12.6097
            17  C8x C     7.3078  -11.2097
            18  C8x C     6.0953  -10.5099
            19  C8x C     4.8998  -11.2003
            20  C8x C     4.8999  -12.6003
            21  C1b C     8.5373  -13.3000
            22  C8y C     9.7518  -12.5988
            23  C8x C    10.9483  -13.2898
            24  C8x C    12.1608  -12.5899
            25  C8x C    12.1609  -11.1899
            26  C8y C    10.9644  -10.4990
            27  C8y C     9.7519  -11.1988
            28  X   Cl    8.5238  -10.4894
            29  C1d C    10.9646   -9.1002
            30  X   F    10.9646   -7.7002
            31  X   F     9.5646   -9.1002
            32  X   F    12.3646   -9.1002
            33  C8x C    14.5887  -16.7997
            34  C8x C    15.8011  -17.4996
            35  C8x C    17.0135  -16.7996
            36  C8y C    17.0135  -15.3891
            37  C8x C    15.8010  -14.6892
            38  C1a C     9.7497  -16.7999
            39  C1b C    18.2186  -14.6933
            40  C6a C    19.4198  -15.3870
            41  O6a O    20.6043  -14.7032
            42  O6a O    19.4200  -16.7997
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    1  14 1
            15    2  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22    4  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   27  28 1
            31   26  29 1
            32   29  30 1
            33   29  31 1
            34   29  32 1
            35    9  33 2
            36   33  34 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40    9  37 1
            41    5  38 1 #Up
            42   36  39 1
            43   39  40 1
            44   40  41 1
            45   40  42 2

» Japanese version   » Back

DBGET integrated database retrieval system