KEGG   DRUG: D00491Help
Entry
D00491                      Drug                                   

Name
Paclitaxel (JAN/USP/INN);
Abraxane (TN);
Taxol (TN)
Product
  Generic
Formula
C47H51NO14
Exact mass
853.331
Mol weight
853.9061
Structure
Mol fileKCF fileDB searchJmolKegDraw
Source
Taxus brevifolia [TAX:46220]
Activity
Antineoplastic [DS:H00014 H00018 H00026 H00027 H00031 H00054]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Drug group: 
Target
beta-tubulin depolymerization inhibitor [HSA:10381 10382 10383 203068 347688 347733 56604 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction  
 
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243], ABCB4 [HSA:5244]
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
     L01CD01 Paclitaxel
      D00491  Paclitaxel (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   424  Plant extract preparations
    4240  Plant extract preparations
     D00491  Paclitaxel (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Others
  Cytoskeleton proteins
   beta-tubulin
    Paclitaxel
     D00491  Paclitaxel (JAN/USP/INN)
Antineoplastics [BR:br08308]
 Natural products
  Microtubule polymer stabilizer
   Paclitaxel
    D00491  Paclitaxel (JAN/USP/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C8
   Paclitaxel
    D00491  Paclitaxel (JAN/USP/INN)
  CYP3A4
   Paclitaxel
    D00491  Paclitaxel (JAN/USP/INN)
Phytochemicals used as drugs [BR:br08306]
 Terpenoids
  Diterpenoids (C20)
   D00491  Paclitaxel (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
33069-62-4
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        62
            1   C1y C    23.8554  -14.8283
            2   C1z C    24.9709  -15.4665
            3   C1y C    23.0503  -15.7023
            4   C1z C    23.8554  -13.5343
            5   C1y C    26.0864  -14.8283
            6   C1x C    26.1325  -16.2082
            7   O7a O    24.9595  -16.8639
            8   C1z C    20.5547  -15.6851
            9   O7a O    23.0677  -17.9740
            10  C5x C    22.1591  -12.4592
            11  C1y C    24.9709  -12.8960
            12  C1a C    23.9416  -11.4857
            13  O2x O    27.1733  -15.5642
            14  C1x C    26.0864  -13.5343
            15  C7a C    26.1613  -17.5653
            16  C1z C    20.5547  -14.3913
            17  C1x C    19.4392  -16.3347
            18  O1a O    20.5375  -16.9443
            19  C7a C    22.0106  -18.6008
            20  C1y C    19.4450  -12.4648
            21  O5x O    22.1821  -11.0445
            22  O1a O    24.9767  -11.7406
            23  C1a C    27.3745  -16.8867
            24  O6a O    26.1499  -18.9628
            25  C2y C    19.4392  -13.7529
            26  C1a C    21.4284  -13.4022
            27  C1a C    21.5607  -14.8914
            28  C1y C    18.3237  -15.6851
            29  C8y C    21.9933  -19.8945
            30  O6a O    20.8365  -17.9394
            31  O7a O    18.3293  -11.8151
            32  C2y C    18.3237  -14.3913
            33  O7a O    16.8457  -16.4210
            34  C7a C    18.3293  -10.5270
            35  C1a C    17.2081  -13.7529
            36  C7a C    15.6899  -15.7540
            37  C1a C    19.4450   -9.8830
            38  O6a O    17.2196   -9.8830
            39  C1c C    14.5226  -16.4268
            40  O6a O    15.6899  -14.4143
            41  C1c C    13.3611  -15.7540
            42  O1a O    14.5226  -17.7666
            43  C8y C    12.1995  -16.4268
            44  N1b N    13.3611  -14.4143
            45  C8x C    11.0321  -15.7540
            46  C8x C    12.1995  -17.7666
            47  C5a C    12.1937  -13.7472
            48  C8x C     9.8706  -16.4268
            49  C8x C    11.0321  -18.4451
            50  C8y C    12.1937  -12.4072
            51  O5a O    11.0321  -14.4143
            52  C8x C     9.8706  -17.7666
            53  C8x C    11.0265  -11.7346
            54  C8x C    13.3553  -11.7346
            55  C8x C    11.0265  -10.3889
            56  C8x C    13.3553  -10.3889
            57  C8x C    12.1937   -9.7161
            58  C8x C    20.7048  -20.5770
            59  C8x C    20.6856  -21.9597
            60  C8x C    21.9438  -22.6671
            61  C8x C    23.1632  -21.9845
            62  C8x C    23.1816  -20.6018
BOND        68
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    4  11 1
            11    4  12 1 #Up
            12    5  13 1 #Up
            13    5  14 1
            14    7  15 1
            15    8  16 1
            16    8  17 1
            17    8  18 1 #Up
            18    9  19 1
            19   10  20 1
            20   10  21 2
            21   11  22 1 #Up
            22   15  23 1
            23   15  24 2
            24   16  25 1
            25   16  26 1
            26   16  27 1
            27   17  28 1
            28   19  29 1
            29   19  30 2
            30   20  31 1 #Up
            31   25  32 2
            32   28  33 1 #Down
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   36  39 1
            39   36  40 2
            40   39  41 1
            41   39  42 1 #Down
            42   41  43 1
            43   41  44 1 #Down
            44   43  45 2
            45   43  46 1
            46   44  47 1
            47   45  48 1
            48   46  49 2
            49   47  50 1
            50   47  51 2
            51   48  52 2
            52   50  53 1
            53   50  54 2
            54   53  55 2
            55   54  56 1
            56   55  57 1
            57    6  13 1
            58   11  14 1
            59   20  25 1
            60   28  32 1
            61   49  52 1
            62   56  57 2
            63   29  58 2
            64   58  59 1
            65   59  60 2
            66   60  61 1
            67   61  62 2
            68   29  62 1

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