KEGG   DRUG: D00966Help
Entry
D00966                      Drug                                   

Name
Tamoxifen citrate (JP16/USP);
Nolvadex (TN)
Product
  Generic
Formula
C26H29NO. C6H8O7
Exact mass
563.2519
Mol weight
563.6381
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-estrogen [DS:H00031]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Selective estrogen receptor modulator (SERM)
Prodrug (active metabolite: Endoxifen [CPD:C16547])
Indication: Metastatic breast cancer
Use Tamoxifen to Patients who have factor V leiden mutation or prothrombin mutation is at risk of increase deep venous thrombosis (DVT).
Target
estrogen receptor 1 agonist/antagonist [HSA:2099] [KO:K08550];
estrogen receptor 2 agonist/antagonist [HSA:2100] [KO:K08551]
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576], CYP1A2 [HSA:1544], CYP2C9 [HSA:1559]
Interaction
Genomic biomarker: ESR [HSA:2099 2100], PGR [HSA:5241], F5 [HSA:2153], F2 [HSA:2147]
Transporter inhibition: ABCC2 [HSA:1244]
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
     L02BA01 Tamoxifen
      D00966  Tamoxifen citrate (JP16/USP)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Tamoxifen
    D00966  Tamoxifen citrate (JP16/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00966  Tamoxifen citrate (JP16/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Tamoxifen
      D00966  Tamoxifen citrate (JP16/USP)
    estrogen receptor 2
     Tamoxifen
      D00966  Tamoxifen citrate (JP16/USP)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonists
  Estrogen antagonist
   Tamoxifen
    D00966  Tamoxifen citrate (JP16/USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP1A2
   Tamoxifen
    D00966  Tamoxifen citrate (JP16/USP)
  CYP2C9
   Tamoxifen
    D00966  Tamoxifen citrate (JP16/USP)
  CYP2D6
   Tamoxifen
    D00966  Tamoxifen citrate (JP16/USP)
  CYP3A4
   Tamoxifen
    D00966  Tamoxifen citrate (JP16/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00966  Tamoxifen citrate
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Stilbenoids
   Stilbenes
    D00966  Tamoxifen citrate (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 
54965-24-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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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