KEGG   DRUG: LapatinibHelp
Entry
D08108                      Drug                                   

Name
Lapatinib (INN)
Formula
C29H26ClFN4O4S
Exact mass
580.1347
Mol weight
581.0575
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Cyp substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01522  CYP3A4 inhibitor
Transporter substrate
 DG01665  P-glycoprotein substrate
 DG01913  BCRP substrate
Remark
ATC code: 
Chemical group: 
Activity
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
Indications: Metastatic breast cancer overexpress HER2
Target
EGFR [HSA:1956] [KO:K04361];
ERBB2 (HER2, CD340) [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], 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
Other map
Bile secretion
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
      D08108  Lapatinib (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Lapatinib
    D08108  Lapatinib (INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Lapatinib
      D08108  Lapatinib (INN)
    ERBB2 tyrosine kinase
     Lapatinib
      D08108  Lapatinib (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Lapatinib
    D08108  Lapatinib (INN)
 CYP substrates
  CYP2C8
   Lapatinib
    D08108  Lapatinib (INN)
  CYP3A4
   Lapatinib
    D08108  Lapatinib (INN)
  CYP3A5
   Lapatinib
    D08108  Lapatinib (INN)
 Transporter inhibitors
  ABCB1
   Lapatinib
    D08108  Lapatinib (INN)
 Transporter substrates
  ABCB1
   Lapatinib
    D08108  Lapatinib (INN)
  ABCG2
   Lapatinib
    D08108  Lapatinib (INN)
BRITE hierarchy
Other DBs
CAS: 
231277-92-2
PubChem: 
ChEMBL: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   C8x C    16.4054  -14.0918
            2   N5x N    16.4054  -15.4940
            3   C8y C    17.5972  -16.1950
            4   C8y C    18.8592  -15.4940
            5   C8y C    18.8592  -14.0918
            6   N5x N    17.5972  -13.3907
            7   C8x C    20.0510  -16.1950
            8   C8y C    21.2428  -15.4940
            9   C8x C    21.2428  -14.0918
            10  C8x C    20.0510  -13.3907
            11  N1b N    17.5972  -17.5972
            12  C8y C    18.7890  -18.2983
            13  C8x C    18.7890  -19.7005
            14  C8y C    20.0510  -20.4015
            15  C8y C    21.2428  -19.7005
            16  C8x C    21.2428  -18.2983
            17  C8x C    20.0510  -17.5972
            18  X   Cl   20.0510  -21.8037
            19  O2a O    22.4347  -20.4015
            20  C1b C    23.6265  -19.7005
            21  C8y C    24.8184  -20.4015
            22  C8x C    24.8184  -21.8037
            23  C8x C    26.0803  -22.5048
            24  C8x C    27.2722  -21.8037
            25  C8y C    27.2722  -20.4015
            26  C8x C    26.0803  -19.7005
            27  X   F    28.4640  -19.7005
            28  C8y C    22.4347  -16.1950
            29  C8x C    22.8553  -17.5271
            30  C8x C    24.2575  -17.5271
            31  C8y C    24.6782  -16.1950
            32  O2x O    23.5564  -15.3537
            33  C1b C    25.9401  -15.4940
            34  N1b N    27.1319  -16.1950
            35  C1b C    28.3238  -15.4940
            36  C1b C    29.5857  -16.1950
            37  S4a S    30.7776  -15.4940
            38  C1a C    31.9694  -16.1950
            39  O3c O    31.7591  -14.5124
            40  O3c O    29.7961  -14.5124
BOND        44
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    3  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   14  18 1
            21   15  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   25  27 1
            31    8  28 1
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  28 1
            36   29  28 2
            37   31  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   37  38 1
            43   37  39 2
            44   37  40 2

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