KEGG   DRUG: D08620Help
Entry
D08620                      Drug                                   

Name
Toremifene (INN);
Fareston (TN)
Formula
C26H28ClNO
Exact mass
405.1859
Mol weight
405.9596
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiestrogen;
Antineoplastic [DS:H00031]
Remark
Same as: 
ATC code: 
Drug group: 
Comment
Selective estrogen receptor modulators (SERMs)
Indication: Metastatic breast cancer (in postmenopausal women)
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
      D08620  Toremifene (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Toremifene
    D08620  Toremifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Toremifene
      D08620  Toremifene (INN)
    estrogen receptor 2
     Toremifene
      D08620  Toremifene (INN)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonists
  Estrogen antagonist
   Toremifene
    D08620  Toremifene (INN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Toremifene
    D08620  Toremifene (INN)
BRITE hierarchy
Other DBs
CAS: 
89778-26-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8x C    17.5000  -19.3200
            2   C8x C    17.5000  -20.7200
            3   C8x C    18.6900  -21.4200
            4   C8x C    19.9500  -20.7200
            5   C8y C    19.9500  -19.3200
            6   C8x C    18.6900  -18.6200
            7   C8x C    22.4000  -20.7200
            8   C8y C    22.4000  -19.3200
            9   C2c C    21.1400  -18.6200
            10  C8x C    23.5900  -21.4200
            11  C8y C    24.7800  -20.7200
            12  C8x C    24.7800  -19.3200
            13  C8x C    23.5900  -18.6200
            14  C2c C    21.1400  -17.2200
            15  C8y C    22.4000  -16.5200
            16  C1b C    19.9500  -16.5200
            17  C1b C    18.7600  -17.2200
            18  X   Cl   17.5700  -16.5200
            19  C8x C    23.5900  -17.2200
            20  C8x C    24.7800  -16.5200
            21  C8x C    24.7800  -15.1200
            22  C8x C    23.5900  -14.4200
            23  C8x C    22.4000  -15.1200
            24  O2a O    26.0400  -21.4200
            25  C1b C    27.2300  -20.7200
            26  C1b C    28.4200  -21.4200
            27  N1c N    29.6100  -20.7200
            28  C1a C    30.8000  -21.4200
            29  C1a C    29.6100  -19.3200
BOND        31
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   15  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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