KEGG   DRUG: RegorafenibHelp
Entry
D10138                      Drug                                   

Name
Regorafenib (USAN/INN)
Formula
C21H15ClF4N4O3
Exact mass
482.0769
Mol weight
482.8154
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Transporter substrate
 DG01913  BCRP substrate
Remark
ATC code: 
Chemical group: 
Activity
Antineoplastic
Target
VEGFR1 tyrosine kinase [HSA:2321] [KO:K05096];
VEGFR3 tyrosine kinase [HSA:2324] [KO:K05097];
platelet-derived growth factor receptor, beta polypeptide [HSA:5159] [KO:K05089];
fibroblast growth factor receptor 1 (FGFR1) [HSA:2260] [KO:K04362]
  Pathway
MAPK signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
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: 
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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