KEGG   DRUG: Tamoxifen citrateHelp
Entry
D00966                      Drug                                   

Name
Tamoxifen citrate (JP17/USP);
Nolvadex (TN)
Product
  Generic
Formula
C26H29NO. C6H8O7
Exact mass
563.2519
Mol weight
563.6381
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01620  Tamoxifene-type antineoplastic
Cyp substrate
 DG01892  CYP1A2 substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A4 substrate
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antiestrogen
  Disease
Breast cancer [DS:H00031]
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 (JP17/USP)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Tamoxifen
    D00966  Tamoxifen citrate (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00966  Tamoxifen citrate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Tamoxifen
      D00966  Tamoxifen citrate (JP17/USP)
    estrogen receptor 2
     Tamoxifen
      D00966  Tamoxifen citrate (JP17/USP)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Tamoxifen
    D00966  Tamoxifen citrate (JP17/USP)
  CYP2C9
   Tamoxifen
    D00966  Tamoxifen citrate (JP17/USP)
  CYP2D6
   Tamoxifen
    D00966  Tamoxifen citrate (JP17/USP)
  CYP3A4
   Tamoxifen
    D00966  Tamoxifen citrate (JP17/USP)
 Transporter inhibitors
  ABCC2
   Tamoxifen
    D00966  Tamoxifen citrate (JP17/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)
Antineoplastics [br08340.html]
 D00966
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D00966
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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