KEGG   DRUG: D07866Help
Entry
D07866                      Drug                                   

Name
Docetaxel (JAN/INN);
Docetaxel (TN);
Taxotere (TN)
Product
Formula
C43H53NO14
Exact mass
807.3466
Mol weight
807.8792
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Taxus baccata [TAX:25629]
Activity
Remark
Same as: 
Therapeutic category: 
ATC code: 
Drug group: 
Comment
indications: Breast cancer, Non-small cell lung cancer, Prostate cancer, etc.
Target
beta-tubulin depolymerization inhibitor [HSA:10381 10382 10383 203068 347688 347733 56604 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Antineoplastics - agents from natural products
Other map
Bile secretion
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
     L01CD02 Docetaxel
      D07866  Docetaxel (INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D07866  Docetaxel (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Others
  Cytoskeleton proteins
   beta-tubulin
    Docetaxel
     D07866  Docetaxel (INN)
Antineoplastics [BR:br08308]
 Natural products
  Microtubule polymer stabilizer
   Docetaxel
    D07866  Docetaxel (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Docetaxel
    D07866  Docetaxel (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
114977-28-5
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C1y C    29.3300  -16.3100
            2   C1z C    30.4500  -16.9400
            3   C1y C    28.5600  -17.1500
            4   C1z C    29.3300  -14.9800
            5   C1y C    31.5700  -16.3100
            6   C1x C    31.6400  -17.6400
            7   O7a O    30.4500  -19.1800
            8   C1z C    26.1100  -17.1500
            9   O7a O    28.5600  -19.4600
            10  C5x C    27.7200  -13.9300
            11  C1y C    30.4500  -14.3500
            12  C1a C    29.0500  -13.7200
            13  O2x O    32.6200  -17.0100
            14  C1x C    31.5700  -14.9800
            15  C7a C    31.6400  -19.8800
            16  C1z C    26.1100  -15.8200
            17  C1x C    24.9900  -17.7800
            18  O1a O    26.1100  -18.3400
            19  C7a C    27.4400  -20.0900
            20  C1y C    24.9900  -13.9300
            21  O5x O    27.7200  -12.5300
            22  O1a O    30.4500  -13.0900
            23  C1a C    32.8300  -19.1800
            24  O6a O    31.6400  -21.2800
            25  C2y C    24.9900  -15.1900
            26  C1a C    27.1600  -14.8400
            27  C1a C    27.1600  -16.3100
            28  C1y C    23.8700  -17.1500
            29  C8y C    27.4400  -21.3500
            30  O6a O    26.3900  -19.3900
            31  O1a O    23.9400  -13.3000
            32  C2y C    23.8700  -15.8200
            33  O7a O    22.4700  -17.8500
            34  C1a C    22.8200  -14.9100
            35  C7a C    21.2800  -17.2200
            36  C1c C    20.1600  -17.8500
            37  O6a O    21.2800  -15.8900
            38  C1c C    19.0400  -17.2200
            39  O1a O    20.1600  -19.1800
            40  C8y C    17.8500  -17.8500
            41  N1b N    19.0400  -15.8900
            42  C8x C    16.7300  -17.2200
            43  C8x C    17.8500  -19.1800
            44  C7a C    17.8500  -15.1900
            45  C8x C    15.5400  -17.8500
            46  C8x C    16.7300  -19.8800
            47  O7a O    17.8500  -13.8600
            48  O6a O    16.7300  -15.8900
            49  C8x C    15.5400  -19.1800
            50  C1d C    16.6600  -13.2300
            51  C1a C    16.6600  -11.8300
            52  C1a C    15.4700  -13.8600
            53  C1a C    15.4700  -12.5300
            54  C8x C    26.2500  -21.9800
            55  C8x C    26.2500  -23.3800
            56  C8x C    27.4400  -24.0800
            57  C8x C    28.6300  -23.4500
            58  C8x C    28.6300  -22.0500
BOND        63
            1     2   7 1 #Down
            2     3   8 1
            3     3   9 1 #Down
            4     4  10 1
            5     4  11 1
            6     4  12 1 #Up
            7     5  13 1 #Up
            8     5  14 1
            9     7  15 1
            10    8  16 1
            11    8  17 1
            12    8  18 1 #Up
            13    9  19 1
            14   10  20 1
            15   10  21 2
            16   11  22 1 #Up
            17   15  23 1
            18   15  24 2
            19   16  25 1
            20   16  26 1
            21   16  27 1
            22   17  28 1
            23   19  29 1
            24   19  30 2
            25   20  31 1 #Up
            26   25  32 2
            27   28  33 1 #Down
            28   32  34 1
            29   33  35 1
            30   35  36 1
            31   35  37 2
            32   36  38 1
            33   36  39 1 #Down
            34   38  40 1
            35   38  41 1 #Down
            36   40  42 2
            37   40  43 1
            38   41  44 1
            39   42  45 1
            40   43  46 2
            41   44  47 1
            42   44  48 2
            43   45  49 2
            44    6  13 1
            45   11  14 1
            46   20  25 1
            47   28  32 1
            48   46  49 1
            49   47  50 1
            50    1   2 1
            51   50  51 1
            52    1   3 1
            53   50  52 1
            54    1   4 1
            55   50  53 1
            56    2   5 1
            57    2   6 1 #Up
            58   29  54 2
            59   54  55 1
            60   55  56 2
            61   56  57 1
            62   57  58 2
            63   29  58 1

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