KEGG   DRUG: Regorafenib hydrateHelp
Entry
D10137                      Drug                                   

Name
Regorafenib hydrate (JAN);
Stivarga (TN)
Product
Formula
C21H15ClF4N4O3. H2O
Exact mass
500.0874
Mol weight
500.8307
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
 DG02924  UGT substrate
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
 DG01913  ABCG2 (BCRP) substrate
Remark
Therapeutic category: 4291
ATC code: L01XE21
Chemical structure group: DG00720
Product (DG00720): D10137<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Colorectal cancer [DS:H00020]
Gastrotintestinal stromal tumor [DS:H01591]
Target
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
TEK (TIE2, CD202) [HSA:7010] [KO:K05121]
PDGFRB [HSA:5159] [KO:K05089]
FGFR1 (CD331) [HSA:2260] [KO:K04362]
KIT (CD117) [HSA:3815] [KO:K05091]
RET [HSA:5979] [KO:K05126]
RAF1 [HSA:5894] [KO:K04366]
BRAF [HSA:673] [KO:K04365]
  Pathway
hsa04010  MAPK signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
hsa05210  Colorectal cancer
hsa05225  Hepatocellular carcinoma
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT1A9 [HSA:54600]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
Interaction
Drug interaction
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
      D10137  Regorafenib hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Regorafenib
    D10137  Regorafenib hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10137  Regorafenib hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   TKL group
    BRAF
     D10137  Regorafenib hydrate (JAN) <JP/US>
    RAF1
     D10137  Regorafenib hydrate (JAN) <JP/US>
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFRB
     D10137  Regorafenib hydrate (JAN) <JP/US>
    KIT (CD117)
     D10137  Regorafenib hydrate (JAN) <JP/US>
   FGFR family
    FGFR1 (CD331)
     D10137  Regorafenib hydrate (JAN) <JP/US>
   VEGFR family
    VEGFR1 (FLT1)
     D10137  Regorafenib hydrate (JAN) <JP/US>
    VEGFR2 (KDR)
     D10137  Regorafenib hydrate (JAN) <JP/US>
    VEGFR3 (FLT4)
     D10137  Regorafenib hydrate (JAN) <JP/US>
   TIE family
    TEK (TIE2, CD202)
     D10137  Regorafenib hydrate (JAN) <JP/US>
   RET family
    RET
     D10137  Regorafenib hydrate (JAN) <JP/US>
Antineoplastics [br08340.html]
 D10137
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10137
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10137
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10137
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10137
BRITE hierarchy
Other DBs
PubChem: 135626855
ChEBI: 68646
LigandBox: D10137
LinkDB All DBs
KCF data Show

ATOM        34
            1   O0  O    24.5000  -22.8200
            2   C8y C    23.1700  -19.3900
            3   C8x C    23.1700  -20.7900
            4   C8x C    21.9100  -21.4900
            5   C8y C    20.7200  -20.7900
            6   C8x C    20.7200  -19.3900
            7   C8y C    21.9100  -18.6900
            8   X   Cl   24.3600  -18.6900
            9   N1b N    19.4600  -21.4900
            10  C5a C    18.2700  -20.7900
            11  N1b N    17.0800  -21.4900
            12  O5a O    18.2700  -19.3900
            13  C8y C    15.8900  -20.7900
            14  C8y C    14.7000  -21.4900
            15  C8x C    13.4400  -20.7900
            16  C8y C    13.4400  -19.3900
            17  C8x C    14.6300  -18.6900
            18  C8x C    15.8900  -19.3900
            19  O2a O    12.2500  -18.6900
            20  C8y C    11.0600  -19.3900
            21  C8x C    11.0600  -20.7900
            22  C8x C     9.8000  -21.4900
            23  N5x N     8.6100  -20.7900
            24  C8y C     8.6100  -19.3200
            25  C8x C     9.8000  -18.6200
            26  C5a C     7.4200  -18.6900
            27  N1b N     6.1600  -19.3900
            28  O5a O     7.4200  -17.2900
            29  C1a C     4.9700  -18.6900
            30  X   F    14.7000  -22.8900
            31  C1d C    21.8928  -17.2901
            32  X   F    21.8928  -15.8901
            33  X   F    20.4928  -17.2901
            34  X   F    23.2928  -17.2901
BOND        35
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     2   8 1
            8     5   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   13  18 1
            19   16  19 1
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   23  24 1
            25   24  25 2
            26   20  25 1
            27   24  26 1
            28   26  27 1
            29   26  28 2
            30   27  29 1
            31   14  30 1
            32    7  31 1
            33   31  32 1
            34   31  33 1
            35   31  34 1

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