KEGG   DRUG: Tamoxifen
Entry
D08559                      Drug                                   

Name
Tamoxifen (INN);
Tamoxifen (TN);
Tamoplex (TN)
Formula
C26H29NO
Exact mass
371.2249
Mol weight
371.5146
Structure
Simcomp
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01620  Tamoxifene-type antineoplastic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 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:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576]
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)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08559  Tamoxifen (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08559
Prodrugs [br08324.html]
 D08559
Prodrugs [br08324.html]
 DG00734
Other DBs
CAS: 10540-29-1
PubChem: 96025244
ChEBI: 41774
ChEMBL: CHEMBL83
DrugBank: DB00675
PDB-CCD: CTX[PDBj]
LigandBox: D08559
NIKKAJI: J10.452C
LinkDB
KCF data

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

» Japanese version   » Back

DBGET integrated database retrieval system