KEGG   DRUG: Cabozantinib s-malate
Entry
D10095                      Drug                                   

Name
Cabozantinib s-malate (USAN);
Cabozantinib malate (JAN);
Cometriq (TN);
Cabometyx (TN)
Product
Formula
C28H24FN3O5. C4H6O5
Exact mass
635.1915
Mol weight
635.5931
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XE26
Chemical structure group: DG01670
Product (DG01670): D10095<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Medullary thyroid cancer [DS:H01592]
Renal cell carcinoma [DS:H00021]
Hepatocellular carcinoma [DS:H00048]
Target
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
MET [HSA:4233] [KO:K05099]
AXL [HSA:558] [KO:K05115]
  Pathway
hsa04010  MAPK signaling pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
hsa05211  Renal cell carcinoma
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
     L01XE26 Cabozantinib
      D10095  Cabozantinib s-malate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Cabozantinib
    D10095  Cabozantinib s-malate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10095  Cabozantinib s-malate (USAN); Cabozantinib malate (JAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   VEGFR family
    VEGFR2 (KDR)
     D10095  Cabozantinib s-malate (USAN) <JP/US>
   MET family
    MET
     D10095  Cabozantinib s-malate (USAN) <JP/US>
   AXL family
    AXL
     D10095  Cabozantinib s-malate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10095
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10095
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10095
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10095
Other DBs
CAS: 1140909-48-3
PubChem: 163312228
ChEBI: 72319
ChEMBL: CHEMBL2103868
LinkDB
KCF data

ATOM        46
            1   C8y C     6.1600  -17.0800
            2   C8y C     6.1600  -18.4800
            3   C8y C     4.9700  -19.1800
            4   C8x C     3.7100  -18.4800
            5   C8x C     3.7100  -17.0800
            6   N5x N     4.9700  -16.3800
            7   C8x C     7.3500  -16.3800
            8   C8y C     8.6100  -17.0800
            9   C8y C     8.6100  -18.4800
            10  C8x C     7.3500  -19.1800
            11  O2a O     9.8000  -16.3800
            12  C1a C    10.9900  -17.0800
            13  O2a O     9.8000  -19.1800
            14  C1a C    10.9900  -18.4800
            15  O2a O     4.9700  -20.5800
            16  C8y C     6.2300  -21.2800
            17  C8x C     6.2300  -22.6800
            18  C8x C     7.4200  -23.3800
            19  C8y C     8.6100  -22.6800
            20  C8x C     8.6100  -21.2100
            21  C8x C     7.4200  -20.5100
            22  N1b N     9.8700  -23.3100
            23  C5a C    11.0600  -22.6100
            24  C1z C    12.3200  -23.3100
            25  O5a O    11.0600  -21.2100
            26  C5a C    13.5100  -22.5400
            27  N1b N    14.7000  -23.2400
            28  O5a O    13.5100  -21.1400
            29  C8y C    15.8900  -22.5400
            30  C8x C    17.1500  -23.2400
            31  C8x C    18.2700  -22.4700
            32  C8y C    18.2700  -21.0700
            33  C8x C    17.0800  -20.4400
            34  C8x C    15.8900  -21.1400
            35  X   F    19.5300  -20.4400
            36  C1x C    11.6200  -24.5000
            37  C1x C    13.0200  -24.5000
            38  O6a O    22.1900  -20.0200
            39  C6a C    23.4024  -20.7200
            40  C1c C    24.5979  -20.0296
            41  O6a O    23.4025  -22.1198
            42  C1b C    25.7853  -20.7151
            43  C6a C    26.9765  -20.0271
            44  O6a O    28.1660  -20.7138
            45  O6a O    26.9765  -18.6203
            46  O1a O    24.5980  -18.6203
BOND        49
            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     7   8 2
            9     8   9 1
            10    9  10 2
            11    2  10 1
            12    8  11 1
            13   11  12 1
            14    9  13 1
            15   13  14 1
            16    3  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 1
            29   26  27 1
            30   26  28 2
            31   27  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   29  34 1
            38   32  35 1
            39   36  37 1
            40   37  24 1
            41   24  36 1
            42   38  39 1
            43   39  40 1
            44   39  41 2
            45   40  42 1
            46   42  43 1
            47   43  44 1
            48   43  45 2
            49   40  46 1 #Up

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