KEGG   DRUG: D04024Help
Entry
D04024                      Drug                                   

Name
Lapatinib tosilate hydrate (JAN);
Lapatinib ditosylate (USAN);
Tykerb (TN)
Product
Formula
C29H26ClFN4O4S. (C7H8O3S)2. H2O
Exact mass
942.1841
Mol weight
943.4761
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic agent [DS:H00031]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Indications: Metastatic breast cancer overexpress HER2
Target
EGFR tyrosine kinase inhibitor [HSA:1956] [KO:K04361];
ERBB2 tyrosine kinase inhibitor [HSA:2064] [KO:K05083]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa05200  Pathways in cancer  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP2C8 [HSA:1558]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Genomic biomarker: HER2 [HSA:2064]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE07 Lapatinib
      D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Lapatinib
    D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Lapatinib
      D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
    ERBB2 tyrosine kinase
     Lapatinib
      D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitor
   Lapatinib
    D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2C8
   Lapatinib
    D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
  CYP3A4
   Lapatinib
    D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
  CYP3A5
   Lapatinib
    D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
 Inhbitors
  CYP3A
   Lapatinib
    D04024  Lapatinib tosilate hydrate (JAN); Lapatinib ditosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
388082-78-8
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        63
            1   O0  O    35.3225  -20.0361
            2   C8x C    19.9641  -13.5924
            3   N5x N    19.9641  -14.9937
            4   C8y C    21.1552  -15.6944
            5   C8y C    22.4164  -14.9937
            6   C8y C    22.4164  -13.5924
            7   N5x N    21.1552  -12.8917
            8   C8x C    23.6075  -15.6944
            9   C8y C    24.7987  -14.9937
            10  C8x C    24.7987  -13.5924
            11  C8x C    23.6075  -12.8917
            12  N1b N    21.1552  -17.0957
            13  C8y C    22.3464  -17.7964
            14  C8x C    22.3464  -19.1977
            15  C8y C    23.6075  -19.8983
            16  C8y C    24.7987  -19.1977
            17  C8x C    24.7987  -17.7964
            18  C8x C    23.6075  -17.0957
            19  X   Cl   23.6075  -21.2997
            20  O2a O    25.9898  -19.8983
            21  C1b C    27.1809  -19.1977
            22  C8y C    28.3720  -19.8983
            23  C8x C    28.3720  -21.2997
            24  C8x C    29.6332  -22.0003
            25  C8x C    30.8244  -21.2997
            26  C8y C    30.8244  -19.8983
            27  C8x C    29.6332  -19.1977
            28  X   F    32.0155  -19.1977
            29  C8y C    25.9898  -15.6944
            30  C8x C    26.4102  -17.0256
            31  C8x C    27.8115  -17.0256
            32  C8y C    28.2319  -15.6944
            33  O2x O    27.1109  -14.8536
            34  C1b C    29.4455  -14.9937
            35  N1b N    30.6591  -15.6944
            36  C1b C    31.8727  -14.9937
            37  C1b C    33.0862  -15.6944
            38  S4a S    34.2999  -14.9937
            39  C1a C    35.5134  -15.6944
            40  O1d O    35.2907  -14.0029
            41  O1d O    33.3089  -14.0029
            42  C8x C    38.4645  -17.4460
            43  C8x C    38.4645  -18.8473
            44  C8y C    39.6780  -19.5480
            45  C8x C    40.8917  -18.8473
            46  C8x C    40.8917  -17.4460
            47  C8y C    39.6780  -16.7454
            48  C1a C    39.6780  -20.9491
            49  S4a S    39.6780  -15.3442
            50  O1d O    39.6780  -13.9429
            51  O1d O    41.0794  -15.3442
            52  O1d O    38.2767  -15.3442
            53  C8x C    38.4645  -17.4460
            54  C8x C    38.4645  -18.8473
            55  C8y C    39.6780  -19.5480
            56  C8x C    40.8917  -18.8473
            57  C8x C    40.8917  -17.4460
            58  C8y C    39.6780  -16.7454
            59  S4a S    39.6780  -15.3442
            60  O1d O    39.6780  -13.9429
            61  O1d O    41.0794  -15.3442
            62  O1d O    38.2767  -15.3442
            63  C1a C    39.6780  -20.9491
BOND        66
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 2
            7     5   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11    6  11 2
            12    4  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   15  19 1
            21   16  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   26  28 1
            31    9  29 1
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   33  29 1
            36   30  29 2
            37   32  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   38  40 2
            44   38  41 2
            45   42  43 2
            46   43  44 1
            47   44  45 2
            48   45  46 1
            49   46  47 2
            50   42  47 1
            51   44  48 1
            52   47  49 1
            53   49  50 1
            54   49  51 2
            55   49  52 2
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   53  58 1
            62   55  63 1
            63   58  59 1
            64   59  60 1
            65   59  61 2
            66   59  62 2
BRACKET     1    37.6600  -21.8400   37.6600  -13.1600
            1    41.9300  -13.1600   41.9300  -21.8400
            1  2
 ORIGINAL  1   42  43  44  45  46  47  49  50  51  52  48
 REPEAT    1   53  54  55  56  57  58  59  60  61  62  63

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