KEGG   DRUG: TamoxifenHelp
Entry
D08559                      Drug                                   

Name
Tamoxifen (INN);
Tamoxifen (TN);
Tamoplex (TN)
Formula
C26H29NO
Exact mass
371.2249
Mol weight
371.5146
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
Same as: 
ATC code: 
Chemical group: 
Activity
Antiestrogen
Comment
Selective estrogen receptor modulator (SERM)
Active form of prodrug: 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 [HSA:2099] [KO:K08550];
estrogen receptor 2 [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
Other map
Drug metabolism - cytochrome P450
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
      D08559  Tamoxifen (INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Tamoxifen
    D08559  Tamoxifen (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Tamoxifen
      D08559  Tamoxifen (INN)
    estrogen receptor 2
     Tamoxifen
      D08559  Tamoxifen (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Tamoxifen
    D08559  Tamoxifen (INN)
  CYP2C9
   Tamoxifen
    D08559  Tamoxifen (INN)
  CYP2D6
   Tamoxifen
    D08559  Tamoxifen (INN)
  CYP3A4
   Tamoxifen
    D08559  Tamoxifen (INN)
 Transporter inhibitors
  ABCC2
   Tamoxifen
    D08559  Tamoxifen (INN)
BRITE hierarchy
Other DBs
CAS: 
10540-29-1
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    24.7800  -19.3200
            2   C8y C    24.7800  -20.7200
            3   C8x C    23.5900  -21.4200
            4   C8x C    22.3300  -20.7200
            5   C8y C    22.3300  -19.3200
            6   C8x C    23.5900  -18.6200
            7   C8x C    19.8800  -20.7200
            8   C8y C    19.8800  -19.3200
            9   C2c C    21.1400  -18.6200
            10  C8x C    18.6900  -21.4200
            11  C8x C    17.5000  -20.7200
            12  C8x C    17.5000  -19.3200
            13  C8x C    18.6900  -18.6200
            14  C2c C    21.1400  -17.2200
            15  C1b C    19.8800  -16.5200
            16  C8y C    22.3300  -16.5200
            17  O2a O    25.9700  -21.4200
            18  C1b C    27.1600  -20.7200
            19  C1b C    28.3500  -21.4200
            20  C8x C    22.3300  -15.1200
            21  C8x C    23.5200  -14.4200
            22  C8x C    24.7800  -15.1200
            23  C8x C    24.7800  -16.5200
            24  C8x C    23.5200  -17.2200
            25  N1c N    29.5400  -20.7200
            26  C1a C    30.8000  -21.4200
            27  C1a C    29.5400  -19.3200
            28  C1a C    18.6900  -17.2200
BOND        30
            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    2  17 1
            19   17  18 1
            20   18  19 1
            21   16  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   16  24 1
            27   19  25 1
            28   25  26 1
            29   25  27 1
            30   15  28 1

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