KEGG   DRUG: D08544Help
Entry
D08544                      Drug                                   

Name
Toceranib phosphate (USAN)
Formula
C22H25FN4O2. H3PO4
Exact mass
494.173
Mol weight
494.4531
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of mast cell tumors in dogs, veterinary
Comment
Tyrosine kinase inhibitor
angiogenesis inhibitor
Target
c-KIT tyrosine kinase inhibitor [HSA:3815] [KO:K05091];
VEGFR1 tyrosine kinase inhibitor [HSA:2321] [KO:K05096];
VEGFR2 tyrosine kinase inhibitor [HSA:3791] [KO:K05098];
PDGFRA tyrosine kinase inhibitor [HSA:5156] [KO:K04363];
PDGFRB tyrosine kinase inhibitor [HSA:5159] [KO:K05089];
VEGFR3 tyrosine kinase inhibitor [HSA:2324] [KO:K05097];
FLT3 inhibitor [HSA:2322] [KO:K05092]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04151  PI3K-Akt signaling pathway
hsa04370  VEGF signaling pathway
hsa04510  Focal adhesion  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    PDGFRA tyrosine kinase
     Toceranib
      D08544  Toceranib phosphate (USAN)
    PDGFRB tyrosine kinase
     Toceranib
      D08544  Toceranib phosphate (USAN)
    c-KIT tyrosine kinase
     Toceranib
      D08544  Toceranib phosphate (USAN)
   RTK class V (VEGF receptor family)
    VEGFR1 tyrosine kinase
     Toceranib
      D08544  Toceranib phosphate (USAN)
    VEGFR2 tyrosine kinase
     Toceranib
      D08544  Toceranib phosphate (USAN)
    VEGFR3 tyrosine kinase
     Toceranib
      D08544  Toceranib phosphate (USAN)
BRITE hierarchy
Other DBs
CAS: 
874819-74-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        34
            1   C8x C     9.9400  -16.3100
            2   C8x C     8.7500  -17.0100
            3   C8y C     8.7500  -18.4100
            4   C8x C     9.9400  -19.1100
            5   C8y C    11.1300  -18.4100
            6   C8y C    11.1300  -17.0100
            7   C2y C    12.5300  -18.8300
            8   C5x C    13.3000  -17.7100
            9   N1x N    12.5300  -16.5900
            10  X   F     7.5600  -19.1100
            11  O5x O    14.7000  -17.7100
            12  C2b C    12.5300  -20.2300
            13  C8y C    13.7200  -20.9300
            14  C8y C    13.7200  -22.3300
            15  C8y C    15.0500  -22.7500
            16  C8y C    15.8200  -21.6300
            17  N4x N    15.0500  -20.5100
            18  C1a C    12.5300  -23.1700
            19  C1a C    17.2900  -21.6300
            20  C5a C    15.0500  -24.2200
            21  O5a O    13.8600  -24.9200
            22  N1b N    16.3100  -24.9200
            23  C1b C    17.5000  -24.2200
            24  C1b C    18.6900  -24.9200
            25  N1y N    19.8800  -24.2200
            26  C1x C    21.2100  -24.6400
            27  C1x C    22.0500  -23.5200
            28  C1x C    21.2100  -22.4000
            29  C1x C    19.8800  -22.8200
            30  P1b P    25.5500  -20.6500
            31  O1c O    26.9023  -20.6377
            32  O1c O    24.1500  -20.6604
            33  O1c O    25.5616  -22.0500
            34  O1c O    25.5384  -19.2500
BOND        36
            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     5   7 1
            8     7   8 1
            9     8   9 1
            10    6   9 1
            11    3  10 1
            12    8  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   13  17 1
            20   14  18 1
            21   16  19 1
            22   15  20 1
            23   20  21 2
            24   20  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   25  29 1
            33   30  31 1
            34   30  32 1
            35   30  33 1
            36   30  34 2

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