KEGG   DRUG: CabazitaxelHelp
Entry
D09755                      Drug                                   

Name
Cabazitaxel (USAN/INN);
Jevtana (TN)
Formula
C45H57NO14
Exact mass
835.3779
Mol weight
835.9324
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: L01CD04
Chemical structure group: DG00695
Product (DG00695): D10452<JP/US>
Efficacy
Antineoplastic, Tubulin depolymerization inhibitor
Comment
Taxane derivative
Target
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
    L01CD Taxanes
     L01CD04 Cabazitaxel
      D09755  Cabazitaxel (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Cabazitaxel
    D09755  Cabazitaxel (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular components
   Cytoskeleton
    TUBB
     D09755  Cabazitaxel (USAN/INN)
Antineoplastics [br08340.html]
 D09755
BRITE hierarchy
Other DBs
CAS: 183133-96-2
PubChem: 124490495
ChEBI: 63584
ChEMBL: CHEMBL1201748
LigandBox: D09755
LinkDB All DBs
KCF data Show

ATOM        60
            1   C1y C    30.1912  -18.4346
            2   C1z C    31.3042  -19.0607
            3   C1y C    29.4260  -19.2694
            4   C1z C    30.1912  -17.1129
            5   C1y C    32.4172  -18.4346
            6   C1x C    32.4867  -19.7563
            7   O7a O    31.3042  -21.2867
            8   C1z C    26.9913  -19.2694
            9   O7a O    29.4260  -21.5649
            10  C5x C    28.5912  -16.0695
            11  C1y C    31.3042  -16.4868
            12  O2x O    33.4606  -19.1302
            13  C1x C    32.4172  -17.1129
            14  C7a C    32.4867  -21.9823
            15  C1z C    26.9913  -17.9477
            16  C1x C    25.8783  -19.8954
            17  O1a O    26.9913  -20.4519
            18  C7a C    28.3130  -22.1910
            19  C1y C    25.8783  -16.0695
            20  O5x O    28.5912  -14.6782
            21  C1a C    33.6693  -21.2867
            22  O6a O    32.4867  -23.3736
            23  C2y C    25.8783  -17.3216
            24  C1a C    28.0347  -16.9738
            25  C1a C    28.0347  -18.4346
            26  C1y C    24.7653  -19.2694
            27  C8y C    28.3130  -23.4431
            28  O6a O    27.2695  -21.4954
            29  C2y C    24.7653  -17.9477
            30  O7a O    23.3740  -19.9650
            31  C1a C    23.7218  -17.0433
            32  C7a C    22.1914  -19.3389
            33  C1c C    21.0784  -19.9650
            34  O6a O    22.1914  -18.0172
            35  C1c C    19.9654  -19.3389
            36  O1a O    21.0784  -21.2867
            37  C8y C    18.7829  -19.9650
            38  N1b N    19.9654  -18.0172
            39  C8x C    17.6698  -19.3389
            40  C8x C    18.7829  -21.2867
            41  C7a C    18.7829  -17.3216
            42  C8x C    16.4873  -19.9650
            43  C8x C    17.6698  -21.9823
            44  O7a O    18.7829  -15.9999
            45  O6a O    17.6698  -18.0172
            46  C8x C    16.4873  -21.2867
            47  C1d C    17.6003  -15.3738
            48  C1a C    17.6003  -13.9826
            49  C1a C    16.4177  -15.9999
            50  C1a C    16.4177  -14.6782
            51  C8x C    27.1304  -24.0692
            52  C8x C    27.1304  -25.4605
            53  C8x C    28.3130  -26.1561
            54  C8x C    29.4955  -25.5300
            55  C8x C    29.4955  -24.1388
            56  O2a O    31.3042  -15.0956
            57  C1a C    32.5090  -14.4000
            58  C1a C    30.0520  -15.6521
            59  O2a O    24.6734  -15.3738
            60  C1a C    24.6733  -13.9828
BOND        65
            1     2   7 1 #Down
            2     3   8 1
            3     3   9 1 #Down
            4     4  10 1
            5     4  11 1
            6     5  12 1 #Up
            7     5  13 1
            8     7  14 1
            9     8  15 1
            10    8  16 1
            11    8  17 1 #Up
            12    9  18 1
            13   10  19 1
            14   10  20 2
            15   14  21 1
            16   14  22 2
            17   15  23 1
            18   15  24 1
            19   15  25 1
            20   16  26 1
            21   18  27 1
            22   18  28 2
            23   23  29 2
            24   26  30 1 #Down
            25   29  31 1
            26   30  32 1
            27   32  33 1
            28   32  34 2
            29   33  35 1
            30   33  36 1 #Down
            31   35  37 1
            32   35  38 1 #Down
            33   37  39 2
            34   37  40 1
            35   38  41 1
            36   39  42 1
            37   40  43 2
            38   41  44 1
            39   41  45 2
            40   42  46 2
            41    6  12 1
            42   11  13 1
            43   19  23 1
            44   26  29 1
            45   43  46 1
            46   44  47 1
            47    1   2 1
            48   47  48 1
            49    1   3 1
            50   47  49 1
            51    1   4 1
            52   47  50 1
            53    2   5 1
            54    2   6 1 #Up
            55   27  51 2
            56   51  52 1
            57   52  53 2
            58   53  54 1
            59   54  55 2
            60   27  55 1
            61   11  56 1 #Up
            62   56  57 1
            63    4  58 1 #Up
            64   19  59 1 #Up
            65   59  60 1

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