KEGG   DRUG: SorafenibHelp
Entry
D08524                      Drug                                   

Name
Sorafenib (USAN/INN)
Formula
C21H16ClF3N4O3
Exact mass
464.0863
Mol weight
464.825
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Cyp substrate
 DG01633  CYP3A4 substrate
Remark
ATC code: 
Chemical group: 
Activity
Antineoplastic, Cytostatic, Tyrosine kinase inhibitor
Comment
Indications: Hepatocellular carcinoma, Renal Cell carcinoma
Target
BRAF kinase [HSA:673] [KO:K04365];
FLT3 kinase [HSA:2322] [KO:K05092];
PDGFRB tyrosine kinase [HSA:5159] [KO:K05089];
VEGFR2 tyrosine kinase [HSA:3791] [KO:K05098];
VEGFR3 tyrosine kinase [HSA:2324] [KO:K05097];
KIT tyrosine kinase [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]
 CYP 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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