KEGG   DRUG: Cabazitaxel
Entry
D09755                      Drug                                   
Name
Cabazitaxel (USAN/INN);
Jevtana (TN)
Formula
C45H57NO14
Exact mass
835.3779
Mol weight
835.9324
Structure
Simcomp
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01CD04
Chemical structure group: DG00695
Product (DG00695): D10452<JP/US>
Efficacy
Antineoplastic, Tubulin depolymerization inhibitor
Comment
Taxane derivative
Target
TUBB [HSA:10381 10382 10383 203068 347688 347733 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
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)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00695  Cabazitaxel
    D09755  Cabazitaxel
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D09755  Cabazitaxel (USAN/INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09755
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09755
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00695  Cabazitaxel
Other DBs
CAS: 183133-96-2
PubChem: 124490495
ChEBI: 63584
LigandBox: D09755
KCF data

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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Ontology (5)   
   KEGG BRITE (5)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
Gene (10)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (9)   
All databases (20)   

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