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KEGG   DRUG: Toceranib
Entry
D08503                      Drug                                   
Name
Toceranib (USAN)
Formula
C22H25FN4O2
Exact mass
396.1962
Mol weight
396.46
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
     D08503  Toceranib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D08503  Toceranib (USAN)
    KIT (CD117)
     D08503  Toceranib (USAN)
   VEGFR family
    VEGFR2 (KDR)
     D08503  Toceranib (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01363  Toceranib
Other DBs
CAS: 356068-94-5
PubChem: 96025188
PDB-CCD: BWC[PDBj]
LigandBox: D08503
LinkDB
KCF data

ATOM        29
            1   C8x C    17.1500   -5.8800
            2   C8x C    15.9600   -6.5800
            3   C8y C    15.9600   -7.9800
            4   C8x C    17.1500   -8.6800
            5   C8y C    18.3400   -7.9800
            6   C8y C    18.3400   -6.5800
            7   C2y C    19.7400   -8.4000
            8   C5x C    20.5100   -7.2800
            9   N1x N    19.7400   -6.1600
            10  X   F    14.7700   -8.6800
            11  O5x O    21.9100   -7.2800
            12  C2b C    19.7400   -9.8000
            13  C8y C    20.9300  -10.5000
            14  C8y C    20.9300  -11.9000
            15  C8y C    22.2600  -12.3200
            16  C8y C    23.0300  -11.2000
            17  N4x N    22.2600  -10.0800
            18  C1a C    19.7400  -12.7400
            19  C1a C    24.5000  -11.2000
            20  C5a C    22.2600  -13.7900
            21  O5a O    21.0700  -14.4900
            22  N1b N    23.5200  -14.4900
            23  C1b C    24.7100  -13.7900
            24  C1b C    25.9000  -14.4900
            25  N1y N    27.0900  -13.7900
            26  C1x C    28.4247  -14.2127
            27  C1x C    29.2391  -13.0740
            28  C1x C    28.4078  -11.9475
            29  C1x C    27.0796  -12.3900
BOND        32
            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

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