KEGG   DRUG: SorafenibHelp
Entry
D08524                      Drug                                   

Name
Sorafenib (USAN/INN)
Formula
C21H16ClF3N4O3
Exact mass
464.0863
Mol weight
464.825
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: L01XE05
Chemical structure group: DG00713
Product (DG00713): D06272<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Comment
Treatment of hepatocellular carcinoma, renal cell carcinoma
Target
RAF1 [HSA:5894] [KO:K04366]
BRAF [HSA:673] [KO:K04365]
FLT3 (CD135) [HSA:2322] [KO:K05092]
PDGFRB [HSA:5159] [KO:K05089]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
KIT (CD117) [HSA:3815] [KO:K05091]
RET [HSA:5979] [KO:K05126]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
hsa05211  Renal cell carcinoma
hsa05216  Thyroid cancer
hsa05225  Hepatocellular carcinoma
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Other map
map04216  Ferroptosis
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)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   RAF family
    BRAF
     D08524  Sorafenib (USAN/INN)
    RAF1
     D08524  Sorafenib (USAN/INN)
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFRB
     D08524  Sorafenib (USAN/INN)
    KIT (CD117)
     D08524  Sorafenib (USAN/INN)
    FLT3 (CD135)
     D08524  Sorafenib (USAN/INN)
   VEGFR family
    VEGFR2 (KDR)
     D08524  Sorafenib (USAN/INN)
    VEGFR3 (FLT4)
     D08524  Sorafenib (USAN/INN)
   RET family
    RET
     D08524  Sorafenib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 284461-73-0
PubChem: 96025209
ChEBI: 50924
ChEMBL: CHEMBL1336
DrugBank: DB00398
PDB-CCD: BAX[PDBj]
LigandBox: D08524
NIKKAJI: J1.961.269D
LinkDB All DBs
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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