KEGG   DRUG: D06272Help
Entry
D06272                      Drug                                   
Name
Sorafenib tosilate (JAN);
Sorafenib tosylate (USAN);
Nexavar (TN)
Product
Formula
C21H16ClF3N4O3. C7H8O3S
Exact mass
636.1057
Mol weight
637.0266
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer, Antineoplastic [DS:H00021 H00048]
Remark
Therapeutic category: 
ATC code: 
Target
BRAF inhibitor [HSA:673] [KO:K04365];
FLT3 inhibitor [HSA:2322] [KO:K05092];
PDGFRB tyrosine kinase inhibitor [HSA:5159] [KO:K05089];
VEGFR2 tyrosine kinase inhibitor [HSA:3791] [KO:K05098];
VEGFR3 tyrosine kinase inhibitor [HSA:2324] [KO:K05097];
c-KIT tyrosine kinase inhibitor [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04150  mTOR signaling pathway
hsa04370  VEGF signaling pathway
hsa04650  Natural killer cell mediated cytotoxicity
hsa05200  Pathways in cancer
hsa05211  Renal cell carcinoma  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT1A1 [HSA:54658], UGT1A9 [HSA:54600], CYP2B6 [HSA:1555], CYP2C9 [HSA:1559], CYP2C8 [HSA:1558]
Interaction
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE05 Sorafenib
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Multitargeted Kinase Inhibitors, Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors
    Sorafenib
     D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRB tyrosine kinase [HSA:5159] [KO:K05089]
     Sorafenib [ATC:L01XE05]
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
    c-KIT tyrosine kinase [HSA:3815] [KO:K05091]
     Sorafenib [ATC:L01XE05]
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
    Fms-related tyrosine kinase 3 [HSA:2322] [KO:K05092]
     Sorafenib [ATC:L01XE05]
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
   RTK class V (VEGF receptor family)
    VEGFR2 tyrosine kinase [HSA:3791] [KO:K05098]
     Sorafenib [ATC:L01XE05]
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
    VEGFR3 tyrosine kinase [HSA:2324] [KO:K05097]
     Sorafenib [ATC:L01XE05]
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
 Protein kinases
  Serine/threonine protein kinases: TKL group
   RAF family
    BRAF [HSA:673] [KO:K04365]
     Sorafenib [ATC:L01XE05]
      D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitors
   Sorafenib [ATC:L01XE05]
    D06272  Sorafenib tosilate (JAN); Sorafenib tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
475207-59-1
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        43
            1   C8y C    41.3134  -16.2561
            2   C8x C    40.1203  -16.9579
            3   C8x C    42.5767  -16.9579
            4   S4a S    41.3134  -14.8525
            5   C8x C    40.1203  -18.3616
            6   C8x C    42.5767  -18.3616
            7   O1d O    39.9098  -14.8525
            8   O1d O    42.7170  -14.8525
            9   O1d O    41.3134  -13.5191
            10  C8y C    41.3134  -19.0634
            11  C1a C    41.2961  -20.4669
            12  C8x C    34.7102  -17.2381
            13  C8y C    34.7102  -18.6418
            14  C8x C    35.9257  -19.3436
            15  C8x C    37.1414  -18.6418
            16  C8y C    37.1414  -17.2381
            17  C8y C    35.9257  -16.5363
            18  X   Cl   38.3757  -16.5253
            19  C1d C    35.9257  -15.1329
            20  X   F    35.9383  -13.7295
            21  N1b N    33.4946  -19.3436
            22  C5a C    32.2961  -18.6514
            23  N1b N    31.1056  -19.3387
            24  O5a O    32.2960  -17.2384
            25  C8y C    29.9113  -18.6489
            26  C8x C    29.9113  -17.2383
            27  C8x C    28.6958  -16.5365
            28  C8y C    27.4802  -17.2383
            29  C8x C    27.4801  -18.6488
            30  C8x C    28.6957  -19.3507
            31  O2a O    26.2656  -16.5369
            32  C8y C    25.0675  -17.2288
            33  C8x C    23.8769  -16.5413
            34  C8y C    22.6613  -17.2431
            35  N5x N    22.6613  -18.6468
            36  C8x C    23.8519  -19.3342
            37  C8x C    25.0675  -18.6324
            38  C5a C    21.4269  -16.5303
            39  N1b N    20.2231  -17.2254
            40  O5a O    21.4271  -15.1328
            41  C1a C    19.0354  -16.5396
            42  X   F    34.5100  -15.1267
            43  X   F    37.3099  -15.1389
BOND        45
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  10 2
            11   10  11 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18   16  18 1
            19   17  19 1
            20   19  20 1
            21   13  21 1
            22   21  22 1
            23   22  23 1
            24   22  24 2
            25   23  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   25  30 1
            32   28  31 1
            33   31  32 1
            34   32  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   36  37 2
            39   32  37 1
            40   34  38 1
            41   38  39 1
            42   38  40 2
            43   39  41 1
            44   19  42 1
            45   19  43 1

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