KEGG   DRUG: Regorafenib hydrate
Entry
D10137                      Drug                                   

Name
Regorafenib hydrate (JAN);
Stivarga (TN)
Product
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)
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
Other DBs
PubChem: 135626855
ChEBI: 68646
LigandBox: D10137
LinkDB
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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