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
Simcomp SIMCOMP
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  CYP3A substrate
Remark
Same as: C07108
ATC code: L02BA01
Chemical structure group: DG00734
Product (DG00734): D00966<JP/US>
Efficacy
Antineoplastic, Estrogen receptor agonist/antagonist
Comment
Active form of prodrug: Endoxifen [CPD:C16547]
Target
NR3A (ESR) [HSA:2099 2100] [KO:K080550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07043  Antineoplastics - hormones
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Other map
map00982  Drug metabolism - cytochrome P450
map01522  Endocrine resistance
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
    NR3A (ESR)
     D08559  Tamoxifen (INN)
Prodrugs [br08324.html]
 D08559
Prodrugs [br08324.html]
 DG00734
BRITE hierarchy
Other DBs
CAS: 10540-29-1
PubChem: 96025244
ChEBI: 41774
ChEMBL: CHEMBL83
DrugBank: DB00675
PDB-CCD: CTX[PDBj]
LigandBox: D08559
NIKKAJI: J10.452C
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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