KEGG   DRUG: Afatinib dimaleateHelp
Entry
D09733                      Drug                                   

Name
Afatinib dimaleate (USAN);
Afatinib maleate (JAN);
Gilotrif (TN)
Product
Formula
C24H25ClFN5O3. (C4H4O4)2
Exact mass
717.1849
Mol weight
718.0827
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antineoplastic
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Target
EGFR tyrosine kinase [HSA:1956] [KO:K04361];
ERBB2 (HER2) tyrosine kinase [HSA:2064] [KO:K05083]
  Pathway
MAPK signaling pathway
ErbB signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Pathways in cancer
Interaction
Genomic biomarker: EGFR [HSA:1956]
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
     L01XE13 Afatinib
      D09733  Afatinib dimaleate (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Afatinib
    D09733  Afatinib dimaleate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09733  Afatinib dimaleate (USAN); Afatinib maleate (JAN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Afatinib
      D09733  Afatinib dimaleate (USAN)
    ERBB2 tyrosine kinase
     Afatinib
      D09733  Afatinib dimaleate (USAN)
Antineoplastics [br08340.html]
 D09733
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09733
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D09733
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D09733
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        50
            1   C8x C    14.1460  -17.3152
            2   N5x N    14.1460  -18.7173
            3   C8y C    15.4079  -19.4184
            4   C8y C    16.5997  -18.7173
            5   C8y C    16.5997  -17.3152
            6   N5x N    15.4079  -16.6142
            7   C8x C    17.7915  -19.4184
            8   C8y C    18.9833  -18.7173
            9   C8y C    18.9833  -17.3152
            10  C8x C    17.7915  -16.6142
            11  N1b N    15.4079  -20.8205
            12  N1b N    20.2452  -19.7689
            13  C5a C    21.4370  -19.0679
            14  C2b C    22.6288  -19.7689
            15  C2b C    23.8907  -19.0679
            16  C8y C    16.5997  -21.5216
            17  C8x C    16.5997  -22.8536
            18  C8y C    17.7915  -23.5547
            19  C8y C    18.9833  -22.8536
            20  C8x C    18.9833  -21.5216
            21  C8x C    17.7915  -20.8205
            22  X   F    20.2452  -23.5547
            23  X   Cl   17.7915  -25.0269
            24  O5a O    21.4370  -17.6657
            25  C1b C    25.0826  -19.7689
            26  N1c N    26.2744  -19.1380
            27  C1a C    27.5363  -19.8390
            28  C1a C    26.2744  -17.7359
            29  O2a O    19.9648  -16.3337
            30  C1y C    21.3669  -16.3337
            31  C1x C    22.1381  -17.4554
            32  C1x C    23.4701  -17.0348
            33  O2x O    23.4701  -15.6327
            34  C1x C    22.1381  -15.2120
            35  C2b C    34.1937  -18.4360
            36  C2b C    35.5959  -18.4360
            37  C6a C    33.4927  -19.6502
            38  O6a O    32.0907  -19.6502
            39  O6a O    34.1841  -20.8475
            40  C6a C    36.2969  -19.6502
            41  O6a O    37.6988  -19.6502
            42  O6a O    35.6055  -20.8475
            43  C2b C    34.1937  -18.4360
            44  C2b C    35.5959  -18.4360
            45  C6a C    36.2969  -19.6502
            46  O6a O    37.6988  -19.6502
            47  O6a O    35.6055  -20.8475
            48  C6a C    33.4927  -19.6502
            49  O6a O    32.0907  -19.6502
            50  O6a O    34.1841  -20.8475
BOND        51
            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    8  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   11  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   18  23 1
            26   13  24 2
            27   15  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 1
            31    9  29 1
            32   30  29 1 #Down
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   30  34 1
            38   35  36 2
            39   35  37 1
            40   37  38 1
            41   37  39 2
            42   36  40 1
            43   40  41 2
            44   40  42 1
            45   43  44 2
            46   43  48 1
            47   48  49 1
            48   48  50 2
            49   44  45 1
            50   45  46 2
            51   45  47 1
BRACKET     1    30.4500  -22.4000   30.4500  -17.5000
            1    38.6400  -17.5000   38.6400  -22.4000
            1  2
 ORIGINAL  1   35  36  40  41  42  37  38  39
 REPEAT    1   43  44  45  46  47  48  49  50

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