KEGG   DRUG: D09724Help
Entry
D09724                      Drug                                   

Name
Afatinib (USAN/INN)
Formula
C24H25ClFN5O3
Exact mass
485.163
Mol weight
485.9384
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
ATC code: 
Drug group: 
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  
 
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
      D09724  Afatinib (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Afatinib
    D09724  Afatinib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Afatinib
      D09724  Afatinib (INN)
    ERBB2 tyrosine kinase
     Afatinib
      D09724  Afatinib (INN)
BRITE hierarchy
Other DBs
CAS: 
850140-72-6
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        34
            1   C8x C    18.3954  -17.3018
            2   N5x N    18.3954  -18.6990
            3   C8y C    19.6530  -19.3977
            4   C8y C    20.8406  -18.6990
            5   C8y C    20.8406  -17.3018
            6   N5x N    19.6530  -16.6032
            7   C8x C    22.0283  -19.3977
            8   C8y C    23.2160  -18.6990
            9   C8y C    23.2160  -17.3018
            10  C8x C    22.0283  -16.6032
            11  N1b N    19.6530  -20.7949
            12  N1b N    24.4735  -19.7470
            13  C5a C    25.6612  -19.0483
            14  C2b C    26.8488  -19.7470
            15  C2b C    28.1064  -19.0483
            16  C8y C    20.8406  -21.4935
            17  C8x C    20.8406  -22.8209
            18  C8y C    22.0283  -23.5196
            19  C8y C    23.2160  -22.8209
            20  C8x C    23.2160  -21.4935
            21  C8x C    22.0283  -20.7949
            22  X   F    24.4735  -23.5196
            23  X   Cl   22.0283  -24.9867
            24  O5a O    25.6612  -17.6511
            25  C1b C    29.3047  -19.7668
            26  N1c N    30.5262  -19.0883
            27  C1a C    31.7566  -19.8255
            28  C1a C    30.5492  -17.7210
            29  O2a O    24.2039  -16.3138
            30  C1y C    25.6012  -16.3138
            31  C1x C    26.4238  -17.4459
            32  C1x C    27.7547  -17.0134
            33  O2x O    27.7547  -15.6140
            34  C1x C    26.4238  -15.1816
BOND        37
            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

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