KEGG   DRUG: D03350Help
Entry
D03350                      Drug                                   

Name
Canertinib dihydrochloride (USAN)
Formula
C24H25ClFN5O3. 2HCl
Exact mass
557.1164
Mol weight
558.8603
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of epithelial tumors
Target
EGFR tyrosine kinase inhibitor [HSA:1956] [KO:K04361];
ERBB2 tyrosine kinase inhibitor [HSA:2064] [KO:K05083];
ERBB3 tyrosine kinase inhibitor [HSA:2065] [KO:K05084];
ERBB4 tyrosine kinase inhibitor [HSA:2066] [KO:K05085]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa05212  Pancreatic cancer  
 
Interaction
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Canertinib
      D03350  Canertinib dihydrochloride (USAN)
    ERBB2 tyrosine kinase
     Canertinib
      D03350  Canertinib dihydrochloride (USAN)
    ERBB3 tyrosine kinase
     Canertinib
      D03350  Canertinib dihydrochloride (USAN)
    ERBB4 tyrosine kinase
     Canertinib
      D03350  Canertinib dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
289499-45-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        36
            1   C8x C    11.9862  -10.9580
            2   N5x N    11.9862  -12.3569
            3   C8y C    13.1977  -13.0564
            4   C8y C    14.4092  -12.3569
            5   C8y C    14.4092  -10.9580
            6   N5x N    13.1977  -10.2586
            7   C8x C    15.6207  -13.0564
            8   C8y C    16.8322  -12.3569
            9   C8y C    16.8322  -10.9580
            10  C8x C    15.6207  -10.2586
            11  N1b N    13.1977  -14.4554
            12  O2a O    18.0464   -9.9070
            13  C1b C    19.2598  -10.6076
            14  N1b N    18.0464  -13.4079
            15  C5a C    19.2598  -12.7073
            16  C2b C    20.4720  -13.4064
            17  C2a C    21.6836  -12.7069
            18  C8y C    14.4099  -15.1552
            19  C8x C    14.4099  -16.5537
            20  C8y C    15.6214  -17.2532
            21  C8y C    16.8328  -16.5537
            22  C8x C    16.8328  -15.1552
            23  C8x C    15.6214  -14.4558
            24  X   F    18.0466  -17.2544
            25  X   Cl   15.6214  -18.6579
            26  C1b C    20.4509   -9.9204
            27  C1b C    21.6633  -10.6209
            28  N1y N    22.8427   -9.9404
            29  C1x C    24.0376  -10.6310
            30  C1x C    25.2503   -9.9315
            31  O2x O    25.2509   -8.5315
            32  C1x C    24.0560   -7.8409
            33  C1x C    22.8432   -8.5404
            34  O5a O    19.2593  -11.3400
            35  X   Cl   27.1600  -14.9800
            36  X   Cl   27.1600  -14.9800
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    9  12 1
            14   12  13 1
            15    8  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   11  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   21  24 1
            27   20  25 1
            28   13  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   28  33 1
            37   15  34 2
BRACKET     1    25.5500  -15.8200   25.5500  -14.0000
            1    28.0700  -14.0000   28.0700  -15.8200
            1  2
 ORIGINAL  1   35
 REPEAT    1   36

» Japanese version   » Back

DBGET integrated database retrieval system