KEGG   DRUG: Tamoxifen citrate
Entry
D00966                      Drug                                   
Name
Tamoxifen citrate (JP18/USP);
Nolvadex (TN);
Soltamox (TN)
Product
  Generic
Formula
C26H29NO. C6H8O7
Exact mass
563.2519
Mol weight
563.6381
Structure
Simcomp
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
  DG01620  Tamoxifene-type antineoplastic
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L02BA01
Chemical structure group: DG00734
Product (DG00734): D00966<JP/US>
Efficacy
Antineoplastic, Estrogen receptor agonist/antagonist
  Disease
Breast cancer (ER-positive) [DS:H00031]
Comment
Active form of prodrug: Endoxifen [CPD:C16547]
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Structure map
map07043  Antineoplastics - hormones
map07226  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
     L02BA01 Tamoxifen
      D00966  Tamoxifen citrate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Tamoxifen
    D00966  Tamoxifen citrate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00966  Tamoxifen citrate (JP18/USP)
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    DG00734  Tamoxifen
     D00966  Tamoxifen citrate
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00734  Tamoxifen
    D00966  Tamoxifen citrate
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00734  Tamoxifen
    D00966  Tamoxifen citrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00734  Tamoxifen
     D00966  Tamoxifen citrate
Drug classes [BR:br08332]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   D00966  Tamoxifen citrate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00966  Tamoxifen citrate (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00966  Tamoxifen citrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00966
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D00966
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    DG00734  Tamoxifen
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00734  Tamoxifen
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00734  Tamoxifen
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00734  Tamoxifen
Prodrugs [br08324.html]
 DG00734
Other DBs
CAS: 54965-24-1
PubChem: 7848029
ChEBI: 9397
LigandBox: D00966
NIKKAJI: J327.784D
KCF data

ATOM        41
            1   C1d C    44.5200  -20.0900
            2   C1b C    43.3300  -20.7900
            3   C1b C    45.7100  -20.7900
            4   C6a C    45.2200  -18.9000
            5   O1a O    43.8200  -18.9000
            6   C6a C    42.0700  -20.0900
            7   C6a C    45.7100  -22.1900
            8   O6a O    44.5200  -17.6400
            9   O6a O    46.6200  -18.9000
            10  O6a O    40.8800  -20.7900
            11  O6a O    42.0700  -18.6900
            12  O6a O    46.9700  -22.8900
            13  O6a O    44.5200  -22.8900
            14  C8x C    32.8300  -21.0700
            15  C8y C    32.8300  -22.4700
            16  C8x C    31.6400  -23.1700
            17  C8x C    30.3800  -22.4700
            18  C8y C    30.3800  -21.0700
            19  C8x C    31.6400  -20.3700
            20  C8x C    27.9300  -22.4700
            21  C8y C    27.9300  -21.0700
            22  C2c C    29.1900  -20.3700
            23  C8x C    26.7400  -23.1700
            24  C8x C    25.5500  -22.4700
            25  C8x C    25.5500  -21.0700
            26  C8x C    26.7400  -20.3700
            27  C2c C    29.1900  -18.9700
            28  C1b C    27.9300  -18.2700
            29  C8y C    30.3800  -18.2700
            30  O2a O    34.0200  -23.1700
            31  C1b C    35.2100  -22.4700
            32  C1b C    36.4000  -23.1700
            33  C8x C    30.3800  -16.8700
            34  C8x C    31.5700  -16.1700
            35  C8x C    32.8300  -16.8700
            36  C8x C    32.8300  -18.2700
            37  C8x C    31.5700  -18.9700
            38  N1c N    37.5900  -22.4700
            39  C1a C    38.7800  -23.1700
            40  C1a C    37.5900  -21.0700
            41  C1a C    26.7400  -18.9700
BOND        42
            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   15  30 1
            31   30  31 1
            32   31  32 1
            33   29  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   29  37 1
            39   32  38 1
            40   38  39 1
            41   38  40 1
            42   28  41 1

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