KEGG   DRUG: GlesatinibHelp
Entry
D11136                      Drug                                   

Name
Glesatinib (USAN/INN)
Formula
C31H27F2N5O3S2
Exact mass
619.1523
Mol weight
619.7046
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
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
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   MET family
    MET
     D11136  Glesatinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 936694-12-1
PubChem: 376219060
ChEMBL: CHEMBL3989914
KCF data Show

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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