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KEGG   DRUG: Toceranib phosphate
Entry
D08544                      Drug                                   
Name
Toceranib phosphate (USAN)
Formula
C22H25FN4O2. H3PO4
Exact mass
494.1731
Mol weight
494.45
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical structure group: DG01363
Efficacy
Antineoplastic (veterinary), Angiogenesis inhibitor, Receptor tyrosine kinase inhibitor
Comment
Treatment of mast cell tumors in dogs
Target
KIT (CD117) [HSA:3815] [KO:K05091]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04370  VEGF signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01363  Toceranib
     D08544  Toceranib phosphate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D08544  Toceranib phosphate (USAN)
    KIT (CD117)
     D08544  Toceranib phosphate (USAN)
   VEGFR family
    VEGFR2 (KDR)
     D08544  Toceranib phosphate (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01363  Toceranib
Other DBs
CAS: 874819-74-6
PubChem: 96025229
LigandBox: D08544
LinkDB
KCF data

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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