KEGG   DRUG: D09690Help
Entry
D09690                      Drug                                   

Name
Varlitinib tosylate (USAN)
Formula
C22H19ClN6O2S. (C7H8O3S)2
Exact mass
810.1367
Mol weight
811.3465
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
ERBB2 tyrosine kinase (HER2) inhibitor [HSA:2064] [KO:K05083];
ERBB4 tyrosine kinase (HER4) inhibitor [HSA:2066] [KO:K05085];
EGFR tyrosine kinase inhibitor [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase [HSA:1956] [KO:K04361]
     Varlitinib
      D09690  Varlitinib tosylate (USAN)
    ERBB2 tyrosine kinase [HSA:2064] [KO:K05083]
     Varlitinib
      D09690  Varlitinib tosylate (USAN)
    ERBB4 tyrosine kinase [HSA:2066] [KO:K05085]
     Varlitinib
      D09690  Varlitinib tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
1146629-86-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        54
            1   C8x C    33.3900  -22.9600
            2   C8x C    33.3900  -24.3600
            3   C8y C    34.6024  -25.0600
            4   C8x C    35.8149  -24.3600
            5   C8x C    35.8149  -22.9600
            6   C8y C    34.6024  -22.2600
            7   C1a C    34.6024  -26.4600
            8   S4a S    34.6024  -20.8600
            9   O1d O    34.6024  -19.4600
            10  O1d O    36.0024  -20.8600
            11  O1d O    33.2024  -20.8600
            12  C8x C    23.2400  -18.8300
            13  C8y C    23.2400  -20.2300
            14  C8x C    22.0500  -20.9300
            15  C8y C    20.7900  -20.2300
            16  C8y C    20.7900  -18.8300
            17  C8x C    22.0500  -18.1300
            18  C8y C    19.6000  -20.9300
            19  N5x N    18.4100  -20.2300
            20  C8x C    18.4100  -18.8300
            21  N5x N    19.6000  -18.1300
            22  N1b N    19.6000  -22.3300
            23  N1b N    24.4300  -20.9300
            24  C2y C    25.6200  -20.2300
            25  O2x O    25.6200  -18.8300
            26  C1x C    26.9500  -18.4100
            27  C1y C    27.7900  -19.5300
            28  N2x N    26.9500  -20.6500
            29  C1a C    29.2600  -19.5300
            30  C8y C    20.8600  -23.0300
            31  C8x C    20.8600  -24.4300
            32  C8y C    22.0500  -25.1300
            33  C8y C    23.2400  -24.4300
            34  C8x C    23.2400  -23.0300
            35  C8x C    22.0500  -22.3300
            36  X   Cl   22.0500  -26.5300
            37  O2a O    24.5000  -25.1300
            38  C1b C    25.6900  -24.4300
            39  C8y C    26.8800  -25.1300
            40  S2x S    26.8800  -26.5300
            41  C8x C    28.2100  -27.0200
            42  C8x C    29.0500  -25.9000
            43  N5x N    28.2100  -24.7100
            44  C8x C    33.3900  -22.9600
            45  C8x C    33.3900  -24.3600
            46  C8y C    34.6024  -25.0600
            47  C8x C    35.8149  -24.3600
            48  C8x C    35.8149  -22.9600
            49  C8y C    34.6024  -22.2600
            50  S4a S    34.6024  -20.8600
            51  O1d O    34.6024  -19.4600
            52  O1d O    36.0024  -20.8600
            53  O1d O    33.2024  -20.8600
            54  C1a C    34.6024  -26.4600
BOND        58
            1    12  13 1
            2    13  14 2
            3    14  15 1
            4    15  16 2
            5    16  17 1
            6    12  17 2
            7    15  18 1
            8    18  19 2
            9    19  20 1
            10   20  21 2
            11   16  21 1
            12   18  22 1
            13   13  23 1
            14   23  24 1
            15   24  25 1
            16   25  26 1
            17   26  27 1
            18   27  28 1
            19   24  28 2
            20   27  29 1 #Up
            21   22  30 1
            22   30  31 2
            23   31  32 1
            24   32  33 2
            25   33  34 1
            26   34  35 2
            27   30  35 1
            28   32  36 1
            29   33  37 1
            30   37  38 1
            31   38  39 1
            32   39  40 1
            33   40  41 1
            34   41  42 2
            35   42  43 1
            36   39  43 2
            37    1   2 2
            38    2   3 1
            39    3   4 2
            40    4   5 1
            41    5   6 2
            42    1   6 1
            43    3   7 1
            44    6   8 1
            45    8   9 1
            46    8  10 2
            47    8  11 2
            48   44  45 2
            49   45  46 1
            50   46  47 2
            51   47  48 1
            52   48  49 2
            53   44  49 1
            54   46  54 1
            55   49  50 1
            56   50  51 1
            57   50  52 2
            58   50  53 2
BRACKET     1    32.8300  -26.8800   32.8300  -19.0400
            1    36.3300  -19.0400   36.3300  -26.8800
            1  2
 ORIGINAL  1    1   2   3   4   5   6   8   9  10  11   7
 REPEAT    1   44  45  46  47  48  49  50  51  52  53  54

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