KEGG   DRUG: Lapatinib ditosylateHelp
Entry
D04024                      Drug                                   

Name
Lapatinib ditosylate (USAN);
Lapatinib tosilate hydrate (JAN);
Tykerb (TN)
Product
Formula
C29H26ClFN4O4S. (C7H8O3S)2. H2O
Exact mass
942.1841
Mol weight
943.4761
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Cyp substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Transporter substrate
 DG01665  P-glycoprotein substrate
 DG01913  BCRP substrate
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic
  Disease
Breast cancer (HER2 overexpression) [DS:H00031]
Target
EGFR tyrosine kinase inhibitor [HSA:1956] [KO:K04361];
ERBB2 tyrosine kinase inhibitor [HSA:2064] [KO:K05083]
  Pathway
MAPK signaling pathway
ErbB signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Pathways in cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP2C19 [HSA:1557], CYP2C8 [HSA:1558]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Genomic biomarker: HER2 [HSA:2064]
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP2C8 [HSA:1558]
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 ditosylate (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Lapatinib
    D04024  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 ditosylate (USAN); Lapatinib tosilate hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Lapatinib
      D04024  Lapatinib ditosylate (USAN)
    ERBB2 tyrosine kinase
     Lapatinib
      D04024  Lapatinib ditosylate (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
 CYP substrates
  CYP2C8
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
  CYP3A4
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
  CYP3A5
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
 Transporter inhibitors
  ABCB1
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
 Transporter substrates
  ABCB1
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
  ABCG2
   Lapatinib
    D04024  Lapatinib ditosylate (USAN)
Antineoplastics [br08340.html]
 D04024
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D04024
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D04024
 Polymorphisms and germline mutations
  D04024
BRITE hierarchy
Other DBs
CAS: 
388082-78-8
PubChem: 
DrugBank: 
LigandBox: 
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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