KEGG   DRUG: Lapatinib ditosylateHelp
Entry
D04024                      Drug                                   

Name
Lapatinib ditosylate (USAN);
Lapatinib tosilate hydrate (JAN);
Lapatinib ditosylate monohydrate;
Tykerb (TN);
Tyverb (TN)
Product
Formula
C29H26ClFN4O4S. (C7H8O3S)2. H2O
Exact mass
942.1841
Mol weight
943.4761
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Cyp substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A substrate
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
 DG01913  ABCG2 substrate
Remark
Therapeutic category: 4291
ATC code: L01XE07
Chemical structure group: DG00715
Product (DG00715): D04024<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Breast cancer (HER2 overexpressing) [DS:H00031]
Target
EGFR [HSA:1956] [KO:K04361]
ERBB2 (HER2, CD340) [HSA_VAR:2064v1] [HSA:2064] [KO:K05083]
  Network
N10009  Tyrosine kinase inhibitor to HER2 overexpression/amplification
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]; CYP2C19 [HSA:1557], CYP2C8 [HSA:1558]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Drug interaction
Structure map
map07045  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) <JP/US>
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]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR
     D04024  Lapatinib ditosylate (USAN) <JP/US>
    ERBB2 (HER2, CD340) [HSA_VAR:2064v1]
     D04024  Lapatinib ditosylate (USAN) <JP/US>
Antineoplastics [br08340.html]
 D04024
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D04024
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04024
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04024
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  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: 17398008
ChEMBL: CHEMBL1201179
DrugBank: DB01259
LigandBox: D04024
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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