KEGG   DRUG: Glesatinib
Entry
D11136                      Drug                                   
Name
Glesatinib (USAN/INN)
Formula
C31H27F2N5O3S2
Exact mass
619.1523
Mol weight
619.7046
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Comment
Treatment of cancer
Target
MET [HSA:4233] [KO:K05099]
  Pathway
hsa04010  MAPK signaling pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    D11136  Glesatinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   MET family
    MET
     D11136  Glesatinib (USAN/INN)
Other DBs
CAS: 936694-12-1
PubChem: 376219060
KCF data

ATOM        43
            1   C8y C    33.7400  -18.2700
            2   C8x C    33.7400  -19.6700
            3   C8x C    32.5500  -20.3700
            4   C8y C    31.2900  -19.6700
            5   C8x C    31.2900  -18.2700
            6   C8x C    32.5500  -17.5700
            7   X   F    34.9300  -17.5700
            8   C1b C    30.1000  -20.3700
            9   C5a C    28.9100  -19.6700
            10  N1b N    27.7200  -20.3700
            11  O5a O    28.9100  -18.2700
            12  C2c C    26.5300  -19.6700
            13  N1b N    25.3400  -20.3700
            14  S0  S    26.5300  -18.2700
            15  C8y C    24.1500  -19.6700
            16  C8x C    22.9600  -20.3700
            17  C8y C    21.7000  -19.6700
            18  C8y C    21.7000  -18.2700
            19  C8x C    22.8900  -17.5700
            20  C8x C    24.1500  -18.2700
            21  X   F    20.5100  -20.3700
            22  O2a O    20.5100  -17.5700
            23  C8y C    20.5100  -16.1700
            24  C8y C    21.7224  -15.4700
            25  C8y C    21.7224  -14.0700
            26  N5x N    20.5100  -13.3700
            27  C8x C    19.2976  -14.0700
            28  C8x C    19.2976  -15.4700
            29  S2x S    23.0539  -15.9026
            30  C8y C    23.8768  -14.7700
            31  C8x C    23.0539  -13.6374
            32  C8y C    25.2700  -14.7700
            33  N5x N    25.9700  -15.9824
            34  C8x C    27.3700  -15.9824
            35  C8y C    28.0700  -14.7700
            36  C8x C    27.3700  -13.5576
            37  C8x C    25.9700  -13.5576
            38  C1b C    29.4700  -14.7700
            39  N1b N    30.1700  -13.5576
            40  C1b C    31.5698  -13.5576
            41  C1b C    32.2603  -12.3620
            42  O2a O    33.6697  -12.3620
            43  C1a C    34.3821  -13.5954
BOND        47
            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     4   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   17  21 1
            23   18  22 1
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   23  28 1
            31   24  29 1
            32   29  30 1
            33   30  31 2
            34   25  31 1
            35   30  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   32  37 1
            42   35  38 1
            43   38  39 1
            44   39  40 1
            45   40  41 1
            46   41  42 1
            47   42  43 1

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