KEGG   DRUG: Regorafenib hydrate
Entry
D10137                      Drug                                   
Name
Regorafenib hydrate (JAN);
Stivarga (TN)
Product
STIVARGA (Bayer HealthCare Pharmaceuticals)
Formula
C21H15ClF4N4O3. H2O
Exact mass
500.0874
Mol weight
500.8307
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03188  UGT1A9 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
Remark
Therapeutic category: 4291
ATC code: L01EX05
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]
Hepatocellular carcinoma [DS:H00048]
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
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX05 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)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG00720  Regorafenib
     D10137  Regorafenib hydrate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00720  Regorafenib
     D10137  Regorafenib hydrate
  DG02924  UGT substrate
   DG03188  UGT1A9 substrate
    DG00720  Regorafenib
     D10137  Regorafenib hydrate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00720  Regorafenib
    D10137  Regorafenib hydrate
  DG01913  ABCG2 substrate
   DG00720  Regorafenib
    D10137  Regorafenib hydrate
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>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  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
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10137
 Drug transporters
  D10137
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG00720  Regorafenib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00720  Regorafenib
  DG02924  UGT substrate
   DG03188  UGT1A9 substrate
    DG00720  Regorafenib
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00720  Regorafenib
  DG01913  ABCG2 substrate
   DG00720  Regorafenib
Other DBs
PubChem: 135626855
ChEBI: 68646
LigandBox: D10137
KCF data

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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Ontology (10)   
   KEGG BRITE (10)   
Disease (3)   
   KEGG DISEASE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (20)   
   KEGG ORTHOLOGY (10)   
   KEGG GENES (10)   
All databases (37)   

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