KEGG   DRUG: D00967Help
Entry
D00967                      Drug                                   

Name
Toremifene citrate (JAN/USAN);
Fareston (TN)
Product
Formula
C26H28ClNO. C6H8O7
Exact mass
597.2129
Mol weight
598.0831
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-estrogen;
Antineoplastic [DS:H00031]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Selective estrogen receptor modulators (SERMs)
Target
estrogen receptor 1 agonist/antagonist [HSA:2099] [KO:K08550];
estrogen receptor 2 agonist/antagonist [HSA:2100] [KO:K08551]
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02B HORMONE ANTAGONISTS AND RELATED AGENTS
    L02BA Anti-estrogens
     L02BA02 Toremifene
      D00967  Toremifene citrate (JAN/USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Toremifene
    D00967  Toremifene citrate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00967  Toremifene citrate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Toremifene
      D00967  Toremifene citrate (JAN/USAN)
    estrogen receptor 2
     Toremifene
      D00967  Toremifene citrate (JAN/USAN)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonists
  Estrogen antagonist
   Toremifene
    D00967  Toremifene citrate (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Toremifene
    D00967  Toremifene citrate (JAN/USAN)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Stilbenoids
   Stilbenes
    D00967  Toremifene citrate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
89778-27-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        42
            1   C1d C    39.8526  -16.7064
            2   C1b C    38.6364  -17.4056
            3   C1b C    41.0688  -17.3996
            4   C6a C    40.5459  -15.4842
            5   O1a O    39.1415  -15.4842
            6   C6a C    37.4260  -16.7122
            7   C6a C    41.0570  -18.8040
            8   O6a O    39.8348  -14.2623
            9   O6a O    41.9560  -15.4842
            10  O6a O    36.2099  -17.4173
            11  O6a O    37.4845  -15.3081
            12  O6a O    42.2733  -19.5089
            13  O6a O    39.8348  -19.5030
            14  C8x C    21.0776  -18.8122
            15  C8x C    21.0776  -20.2155
            16  C8x C    22.2929  -20.9171
            17  C8x C    23.5082  -20.2155
            18  C8y C    23.5082  -18.8122
            19  C8x C    22.2929  -18.1105
            20  C8x C    25.9387  -20.2155
            21  C8y C    25.9387  -18.8122
            22  C2c C    24.7235  -18.1105
            23  C8x C    27.1541  -20.9171
            24  C8y C    28.3694  -20.2155
            25  C8x C    28.3694  -18.8122
            26  C8x C    27.1541  -18.1105
            27  C2c C    24.7235  -16.7072
            28  C8y C    25.9408  -16.0044
            29  C1b C    23.5102  -16.0068
            30  C1b C    22.3129  -16.6982
            31  X   Cl   21.1223  -16.0108
            32  C8x C    27.1402  -16.6970
            33  C8x C    28.3555  -15.9954
            34  C8x C    28.3556  -14.5921
            35  C8x C    27.1563  -13.8996
            36  C8x C    25.9409  -14.6011
            37  O2a O    29.5887  -20.9194
            38  C1b C    30.7890  -20.2263
            39  C1b C    31.9781  -20.9128
            40  N1c N    33.1728  -20.2229
            41  C1a C    34.3648  -20.9110
            42  C1a C    33.1728  -18.8125
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   20  21 1
            20   21  22 1
            21   18  22 1
            22   20  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   21  26 2
            27   22  27 2
            28   27  28 1
            29   27  29 1
            30   29  30 1
            31   30  31 1
            32   28  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   28  36 1
            38   24  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   40  42 1

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