KEGG   DRUG: D09689Help
Entry
D09689                      Drug                                   

Name
Varlitinib (USAN/INN)
Formula
C22H19ClN6O2S
Exact mass
466.0979
Mol weight
466.9433
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
      D09689  Varlitinib (USAN/INN)
    ERBB2 tyrosine kinase
     Varlitinib
      D09689  Varlitinib (USAN/INN)
    ERBB4 tyrosine kinase
     Varlitinib
      D09689  Varlitinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
845272-21-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C8x C    27.3700  -18.8300
            2   C8y C    27.3700  -20.2300
            3   C8x C    26.1800  -20.9300
            4   C8y C    24.9200  -20.2300
            5   C8y C    24.9200  -18.8300
            6   C8x C    26.1800  -18.1300
            7   C8y C    23.7300  -20.9300
            8   N5x N    22.5400  -20.2300
            9   C8x C    22.5400  -18.8300
            10  N5x N    23.7300  -18.1300
            11  N1b N    23.7300  -22.3300
            12  N1b N    28.5600  -20.9300
            13  C2y C    29.7500  -20.2300
            14  O2x O    29.7500  -18.8300
            15  C1x C    31.0800  -18.4100
            16  C1y C    31.9200  -19.5300
            17  N2x N    31.0800  -20.6500
            18  C1a C    33.3200  -19.5300
            19  C8y C    24.9453  -23.0251
            20  C8x C    24.9511  -24.4297
            21  C8y C    26.1664  -25.1247
            22  C8y C    27.3759  -24.4197
            23  C8x C    27.3701  -23.0151
            24  C8x C    26.1548  -22.3201
            25  X   Cl   26.1721  -26.5300
            26  O2a O    28.5912  -25.1146
            27  C1b C    29.7707  -24.4271
            28  C8y C    30.9716  -25.1139
            29  S2x S    30.9562  -26.5299
            30  C8x C    32.2939  -26.9825
            31  C8x C    33.1378  -25.8501
            32  N5x N    32.3216  -24.6977
BOND        36
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    7  11 1
            13    2  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   13  17 2
            20   16  18 1 #Up
            21   11  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   21  25 1
            29   22  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 2
            35   31  32 1
            36   28  32 2

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