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KEGG   DRUG: Eribulin mesylate
Entry
D08914                      Drug                                   
Name
Eribulin mesylate (USAN);
Eribulin mesilate (JAN);
Halaven (TN)
Product
HALAVEN (BSP Pharmaceuticals SpA), HALAVEN (Eisai)
  Generic
ERIBULIN MESYLATE (Apotex Corp.), ERIBULIN MESYLATE (Baxter Healthcare Corporation), ERIBULIN MESYLATE (Gland Pharma Limited), ERIBULIN MESYLATE (HIKMA PHARMACEUTICALS USA), ERIBULIN MESYLATE (Long Grove Pharmaceuticals)
Formula
C40H59NO11. CH4SO3
Exact mass
825.3969
Mol weight
826.00
Structure
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01XX41
Product: D08914<JP/US>
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
  Disease
Breast cancer [DS:H00031]
Liposarcoma [DS:H02427]
Comment
Halichondrin B [CPD:C16791] analog
Target
TUBB [HSA:10381 10382 10383 203068 347688 347733 7280 81027 84617] [KO:K07375]
  Pathway
hsa04540  Gap junction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX41 Eribulin
      D08914  Eribulin mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Antineoplastics, Miscellaneous
    Eribulin
     D08914  Eribulin mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D08914  Eribulin mesylate (USAN); Eribulin mesilate (JAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D08914  Eribulin mesylate
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D08914  Eribulin mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08914
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08914
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08914
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08914
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08914
Other DBs
CAS: 441045-17-6
PubChem: 96025597
ChEBI: 70710
LigandBox: D08914
LinkDB
KCF data

ATOM        57
            1   C1y C    16.4500  -12.6000
            2   C1y C    16.4500  -11.2700
            3   C1b C    17.6400  -10.5700
            4   C5a C    18.7600  -11.2700
            5   C1b C    19.9500  -10.5700
            6   C1y C    21.0700  -11.2700
            7   C1x C    22.2600  -10.5700
            8   C1x C    23.3800  -11.2700
            9   C1y C    23.3800  -12.6000
            10  C1y C    22.1900  -13.3000
            11  C1y C    22.1900  -14.6300
            12  C1y C    23.3800  -15.3300
            13  C1y C    24.5700  -14.6300
            14  O2x O    24.5700  -13.3000
            15  O2x O    21.0000  -15.3300
            16  C1z C    21.0000  -16.7300
            17  C1x C    22.1900  -17.3600
            18  O2x O    23.3800  -16.7300
            19  C1y C    24.2200  -17.3600
            20  C1y C    25.7600  -15.3300
            21  C1b C    19.8100  -17.3600
            22  C1b C    19.8100  -18.7600
            23  C1y C    18.6900  -19.3900
            24  C1x C    18.6900  -20.7900
            25  O2x O    17.5000  -18.7600
            26  C1y C    16.3100  -19.4600
            27  C1b C    15.1200  -18.7600
            28  C2y C    16.3100  -20.7900
            29  C1b C    15.1200  -17.3600
            30  C1y C    16.3100  -16.7300
            31  O2x O    16.3100  -15.3300
            32  C1x C    17.4300  -17.3600
            33  C1y C    18.6200  -16.7300
            34  C2y C    18.6200  -15.3300
            35  C1y C    17.5000  -14.6300
            36  C1b C    17.5000  -13.3000
            37  C2a C    19.6700  -14.6300
            38  O5a O    18.7600  -12.6000
            39  O2x O    21.0700  -12.6000
            40  O2x O    22.1900  -16.0300
            41  C2a C    15.3300  -21.7000
            42  C1y C    15.1851  -10.8590
            43  C1y C    14.4033  -11.9350
            44  O2x O    15.1851  -13.0110
            45  O2a O    14.7503   -9.5209
            46  C1b C    13.0204  -11.9354
            47  C1c C    12.3347  -10.7492
            48  C1b C    10.9203  -10.7497
            49  N1a N    10.2327   -9.5603
            50  C1a C    15.4503   -8.3085
            51  O1a O    13.0172   -9.5660
            52  C1a C    19.3900  -16.1700
            53  S4a S    32.7600  -14.6300
            54  O1d O    32.7600  -13.2300
            55  O1d O    32.7600  -16.0300
            56  O1d O    34.1600  -14.6300
            57  C1a C    31.3600  -14.6300
BOND        64
            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     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    9  14 1
            15   11  15 1
            16   15  16 1
            17   16  17 1
            18   12  18 1
            19   17  19 1
            20   13  20 1
            21   20  19 1
            22   16  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   23  25 1
            27   25  26 1
            28   26  27 1
            29   26  28 1
            30   28  24 1
            31   27  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   31  35 1
            39    1  36 1
            40   36  35 1
            41   34  37 2
            42    4  38 2
            43    6  39 1
            44   39  10 1
            45   16  40 1 #Up
            46   20  40 1 #Up
            47   19  18 1
            48   28  41 2
            49    2  42 1
            50   42  43 1
            51   43  44 1
            52    1  44 1
            53   42  45 1 #Down
            54   43  46 1 #Down
            55   46  47 1
            56   47  48 1
            57   48  49 1
            58   45  50 1
            59   47  51 1 #Up
            60   33  52 1 #Down
            61   53  54 2
            62   53  55 2
            63   53  56 1
            64   53  57 1

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