KEGG   DRUG: D10138Help
Entry
D10138                      Drug                                   

Name
Regorafenib (USAN/INN)
Formula
C21H15ClF4N4O3
Exact mass
482.0769
Mol weight
482.8154
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Remark
ATC code: 
Drug group: 
Target
VEGFR1 tyrosine kinase inhibitor [HSA:2321] [KO:K05096];
VEGFR3 tyrosine kinase inhibitor [HSA:2324] [KO:K05097];
platelet-derived growth factor receptor, beta polypeptide inhibitor [HSA:5159] [KO:K05089];
fibroblast growth factor receptor 1 (FGFR1) inhibitor [HSA:2260] [KO:K04362]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa05200  Pathways in cancer  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE21 Regorafenib
      D10138  Regorafenib (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Regorafenib
    D10138  Regorafenib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRB tyrosine kinase
     Regorafenib
      D10138  Regorafenib (USAN/INN)
   RTK class IV (FGF receptor family)
    fibroblast growth factor receptor 1
     Regorafenib
      D10138  Regorafenib (USAN/INN)
   RTK class V (VEGF receptor family)
    VEGFR1 tyrosine kinase
     Regorafenib
      D10138  Regorafenib (USAN/INN)
    VEGFR3 tyrosine kinase
     Regorafenib
      D10138  Regorafenib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
755037-03-7
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8y C    29.4700  -16.7300
            2   C8x C    29.4700  -18.1300
            3   C8x C    28.2100  -18.8300
            4   C8y C    27.0200  -18.1300
            5   C8x C    27.0200  -16.7300
            6   C8y C    28.2100  -16.0300
            7   X   Cl   30.6600  -16.0300
            8   N1b N    25.7600  -18.8300
            9   C5a C    24.5700  -18.1300
            10  N1b N    23.3800  -18.8300
            11  O5a O    24.5700  -16.7300
            12  C8y C    22.1900  -18.1300
            13  C8y C    21.0000  -18.8300
            14  C8x C    19.7400  -18.1300
            15  C8y C    19.7400  -16.7300
            16  C8x C    20.9300  -16.0300
            17  C8x C    22.1900  -16.7300
            18  O2a O    18.6200  -16.0300
            19  C8y C    17.4300  -16.7300
            20  C8x C    17.4300  -18.1300
            21  C8x C    16.1700  -18.8300
            22  N5x N    14.9800  -18.1300
            23  C8y C    14.9800  -16.6600
            24  C8x C    16.1700  -15.9600
            25  C5a C    13.7900  -16.0300
            26  N1b N    12.5300  -16.7300
            27  O5a O    13.7900  -14.6300
            28  C1a C    11.3400  -16.0300
            29  X   F    21.0000  -20.2300
            30  C1d C    28.2100  -14.6300
            31  X   F    28.2100  -13.2300
            32  X   F    26.8100  -14.6300
            33  X   F    29.6100  -14.6300
BOND        35
            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     1   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   23  25 1
            28   25  26 1
            29   25  27 2
            30   26  28 1
            31   13  29 1
            32    6  30 1
            33   30  31 1
            34   30  32 1
            35   30  33 1

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