KEGG   DRUG: Cediranib maleate
Entry
D08883                      Drug                                   
Name
Cediranib maleate (JAN/USAN)
Formula
C25H27FN4O3. C4H4O4
Exact mass
566.2177
Mol weight
566.58
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03203  VEGFR inhibitor
Remark
ATC code: L01EK02
Chemical structure group: DG01360
Efficacy
Antineoplastic, Angiogenesis inhibitor, Receptor tyrosine kinase inhibitor
Target
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
  Pathway
hsa04010  MAPK signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EK Vascular endothelial growth factor receptor (VEGFR) tyrosine kinase inhibitors
     L01EK02 Cediranib
      D08883  Cediranib maleate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03203  VEGFR inhibitor
     DG01360  Cediranib
      D08883  Cediranib maleate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   VEGFR family
    VEGFR1 (FLT1)
     D08883  Cediranib maleate (JAN/USAN)
    VEGFR2 (KDR)
     D08883  Cediranib maleate (JAN/USAN)
    VEGFR3 (FLT4)
     D08883  Cediranib maleate (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03203  VEGFR inhibitor
     DG01360  Cediranib
Other DBs
CAS: 857036-77-2
PubChem: 96025566
LigandBox: D08883
LinkDB
KCF data

ATOM        41
            1   C8y C    19.8247  -16.2595
            2   C8y C    19.8247  -14.8641
            3   C8x C    21.0108  -16.9572
            4   C8y C    18.5688  -16.9572
            5   N5x N    18.5688  -14.1664
            6   C8x C    21.0108  -14.1664
            7   C8y C    22.1969  -16.2595
            8   N5x N    17.3827  -16.2595
            9   C8x C    17.3827  -14.8641
            10  C8y C    22.1969  -14.8641
            11  O2a O    23.4528  -16.9572
            12  O2a O    23.4528  -14.1664
            13  C1a C    24.6389  -16.2595
            14  C1b C    24.6389  -14.8641
            15  O2a O    18.5690  -18.3526
            16  C8y C    17.3129  -19.0504
            17  C8y C    16.1268  -18.2829
            18  C8y C    14.8709  -18.9806
            19  C8y C    14.8707  -20.3760
            20  C8x C    16.0570  -21.1435
            21  C8x C    17.3129  -20.4458
            22  C8x C    13.5453  -18.5620
            23  C8y C    12.7080  -19.6783
            24  N4x N    13.5453  -20.7946
            25  C1a C    11.3126  -19.6783
            26  X   F    16.1268  -16.8874
            27  C1b C    25.8250  -14.1664
            28  C1b C    27.0112  -14.8641
            29  N1y N    28.2670  -14.1664
            30  C1x C    29.4532  -14.7245
            31  C1x C    30.4300  -13.7477
            32  C1x C    29.7323  -12.5616
            33  C1x C    28.4066  -12.8407
            34  C2b C    34.6860  -17.5852
            35  C2b C    36.4303  -17.5852
            36  C6a C    33.9883  -18.7936
            37  C6a C    37.1280  -18.7936
            38  O6a O    38.5233  -18.7936
            39  O6a O    32.5931  -18.7936
            40  O6a O    34.6765  -19.9852
            41  O6a O    36.4399  -19.9852
BOND        44
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 2
            10    7  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14    7  10 1
            15    8   9 1
            16    4  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   18  22 1
            25   22  23 2
            26   23  24 1
            27   19  24 1
            28   23  25 1
            29   17  26 1
            30   14  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   29  33 1
            38   34  35 2
            39   34  36 1
            40   35  37 1
            41   37  38 2
            42   36  39 1
            43   36  40 2
            44   37  41 1

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