KEGG   DRUG: Cabozantinib s-malateHelp
Entry
D10095                      Drug                                   

Name
Cabozantinib s-malate (USAN);
Cabozantinib malate (JAN);
Cometriq (TN)
Product
Formula
C28H24FN3O5. C4H6O5
Exact mass
635.1915
Mol weight
635.5931
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
ATC code: L01XE26
Chemical structure group: DG01670
Product (DG01670): D10095<US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Medullary thyroid cancer [DS:H01592]
Renal cell carcinoma [DS:H00021]
Target
RET [HSA:5979] [KO:K05126]
MET [HSA:4233] [KO:K05099]
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
KIT (CD117) [HSA:3815] [KO:K05091]
NTRK2 (TRKB) [HSA:4915] [KO:K04360]
FLT3 (CD135) [HSA:2322] [KO:K05092]
AXL [HSA:558] [KO:K05115]
ROS1 [HSA:6098] [KO:K05088]
TYRO3 [HSA:7301] [KO:K05116]
MERTK [HSA:10461] [KO:K05117]
TEK (TIE2, CD202) [HSA:7010] [KO:K05121]
  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
hsa05216  Thyroid cancer
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
     L01XE26 Cabozantinib
      D10095  Cabozantinib s-malate (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Cabozantinib
    D10095  Cabozantinib s-malate (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    ROS1
     D10095  Cabozantinib s-malate (USAN) <US>
   PDGFR family
    KIT (CD117)
     D10095  Cabozantinib s-malate (USAN) <US>
    FLT3 (CD135)
     D10095  Cabozantinib s-malate (USAN) <US>
   VEGFR family
    VEGFR1 (FLT1)
     D10095  Cabozantinib s-malate (USAN) <US>
    VEGFR2 (KDR)
     D10095  Cabozantinib s-malate (USAN) <US>
    VEGFR3 (FLT4)
     D10095  Cabozantinib s-malate (USAN) <US>
   MET family
    MET
     D10095  Cabozantinib s-malate (USAN) <US>
   TRK family
    NTRK2 (TRKB)
     D10095  Cabozantinib s-malate (USAN) <US>
   AXL family
    AXL
     D10095  Cabozantinib s-malate (USAN) <US>
    TYRO3
     D10095  Cabozantinib s-malate (USAN) <US>
    MERTK
     D10095  Cabozantinib s-malate (USAN) <US>
   TIE family
    TEK (TIE2, CD202)
     D10095  Cabozantinib s-malate (USAN) <US>
   RET family
    RET
     D10095  Cabozantinib s-malate (USAN) <US>
Antineoplastics [br08340.html]
 D10095
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 the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10095
BRITE hierarchy
Other DBs
CAS: 1140909-48-3
PubChem: 163312228
ChEBI: 72319
ChEMBL: CHEMBL2103868
LinkDB All DBs
KCF data Show

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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