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
Remark
Drug group: 
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
     Varlitinib
      D09690  Varlitinib tosylate (USAN)
    ERBB2 tyrosine kinase
     Varlitinib
      D09690  Varlitinib tosylate (USAN)
    ERBB4 tyrosine kinase
     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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