KEGG   DRUG: D08524Help
Entry
D08524                      Drug                                   

Name
Sorafenib (USAN/INN)
Formula
C21H16ClF3N4O3
Exact mass
464.0863
Mol weight
464.825
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic;
Anticancer;
Cytostatic, cytostaticum [DS:H00021 H00048]
Remark
ATC code: 
Drug group: 
Comment
Raf inhibitor
Indications: Hepatocellular carcinoma, Renal Cell carcinoma
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
MAPK signaling pathway
ErbB signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Chemokine signaling pathway
mTOR signaling pathway
VEGF signaling pathway
Natural killer cell mediated cytotoxicity
Pathways in cancer
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
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
      D08524  Sorafenib (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Sorafenib
    D08524  Sorafenib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRB tyrosine kinase
     Sorafenib
      D08524  Sorafenib (USAN/INN)
    c-KIT tyrosine kinase
     Sorafenib
      D08524  Sorafenib (USAN/INN)
    Fms-related tyrosine kinase 3
     Sorafenib
      D08524  Sorafenib (USAN/INN)
   RTK class V (VEGF receptor family)
    VEGFR2 tyrosine kinase
     Sorafenib
      D08524  Sorafenib (USAN/INN)
    VEGFR3 tyrosine kinase
     Sorafenib
      D08524  Sorafenib (USAN/INN)
 Protein kinases
  Serine/threonine protein kinases: TKL group
   RAF family
    BRAF
     Sorafenib
      D08524  Sorafenib (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2B6
   Sorafenib
    D08524  Sorafenib (USAN/INN)
  CYP2C8
   Sorafenib
    D08524  Sorafenib (USAN/INN)
  CYP2C9
   Sorafenib
    D08524  Sorafenib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
284461-73-0
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C8x C    30.1700  -18.6200
            2   C8y C    30.1700  -20.0200
            3   C8x C    31.3600  -20.7200
            4   C8x C    32.6200  -20.0200
            5   C8y C    32.6200  -18.6200
            6   C8y C    31.3600  -17.9200
            7   X   Cl   33.8100  -17.9200
            8   C1d C    31.3600  -16.5200
            9   X   F    31.3600  -15.1200
            10  N1b N    28.9800  -20.7200
            11  C5a C    27.7200  -20.0200
            12  N1b N    26.5300  -20.7200
            13  O5a O    27.7200  -18.6200
            14  C8y C    25.3400  -20.0200
            15  C8x C    25.3400  -18.6200
            16  C8x C    24.1500  -17.9200
            17  C8y C    22.9600  -18.6200
            18  C8x C    22.9600  -20.0200
            19  C8x C    24.1500  -20.7200
            20  O2a O    21.7000  -17.9200
            21  C8y C    20.5100  -18.6200
            22  C8x C    19.3200  -17.9200
            23  C8y C    18.1300  -18.6200
            24  N5x N    18.1300  -20.0200
            25  C8x C    19.3200  -20.7200
            26  C8x C    20.5100  -20.0200
            27  C5a C    16.8700  -17.9200
            28  N1b N    15.6800  -18.6200
            29  O5a O    16.8700  -16.5200
            30  C1a C    14.4900  -17.9200
            31  X   F    29.9600  -16.5200
            32  X   F    32.7600  -16.5200
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     6   8 1
            9     8   9 1
            10    2  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   12  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   23  27 1
            30   27  28 1
            31   27  29 2
            32   28  30 1
            33    8  31 1
            34    8  32 1

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