KEGG   DRUG: D00946Help
Entry
D00946                      Drug                                   

Name
Fosfestrol (JAN/INN);
Diethylstilbestrol diphosphate (USP);
Stilphostrol (TN)
Formula
C18H22O8P2
Exact mass
428.079
Mol weight
428.31
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Estrogen
Remark
Same as: 
ATC code: 
Drug group: 
Comment
prodrug, active substance: Diethylstilbestrol [DR:D00577]
Target
estrogen receptor 1 agonist [HSA:2099] [KO:K08550];
estrogen receptor 2 agonist [HSA:2100] [KO:K08551]
Interaction
Drug interaction
Structure map
Antineoplastics - hormones
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CB Synthetic estrogens, plain
     G03CB02 Diethylstilbestrol
      D00946  Fosfestrol (JAN/INN); Diethylstilbestrol diphosphate (USP)
    G03CC Estrogens, combinations with other drugs
     G03CC05 Diethylstilbestrol
      D00946  Fosfestrol (JAN/INN); Diethylstilbestrol diphosphate (USP)
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA04 Fosfestrol
      D00946  Fosfestrol (JAN/INN); Diethylstilbestrol diphosphate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Diethylstilbestrol
      D00946  Fosfestrol (JAN/INN); Diethylstilbestrol diphosphate (USP)
    estrogen receptor 2
     Diethylstilbestrol
      D00946  Fosfestrol (JAN/INN); Diethylstilbestrol diphosphate (USP)
Antineoplastics [BR:br08308]
 Hormones and hormone antagonist
  Estrogen
   Fosfestrol
    D00946  Fosfestrol (JAN/INN); Diethylstilbestrol diphosphate (USP)
Phytochemicals used as drugs [BR:br08306]
 Phenylpropanoids and related compounds
  Stilbenoids
   Stilbenes
    D00946  Fosfestrol (JP15/INN); Diethylstilbestrol diphosphate (USP)
BRITE hierarchy
Other DBs
CAS: 
522-40-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C2c C    17.1859  -16.2286
            2   C2c C    17.1976  -17.6216
            3   C8y C    15.9677  -15.5350
            4   C1b C    18.3983  -15.5234
            5   C8y C    18.4099  -18.3211
            6   C1b C    15.9909  -18.3211
            7   C8x C    14.7553  -16.2286
            8   C8x C    15.9677  -14.1301
            9   C1a C    19.6109  -16.2169
            10  C8x C    18.4099  -19.7201
            11  C8x C    19.6225  -17.6159
            12  C1a C    14.7786  -17.6275
            13  C8x C    13.5428  -15.5350
            14  C8x C    14.7553  -13.4248
            15  C8x C    19.6283  -20.4196
            16  C8x C    20.8408  -18.3153
            17  C8y C    13.5428  -14.1301
            18  C8y C    20.8408  -19.7143
            19  O2b O    12.3244  -13.4248
            20  O2b O    22.0531  -20.4196
            21  P1b P    11.1121  -14.1184
            22  P1b P    23.2539  -19.7143
            23  O1c O     9.9007  -14.8178
            24  O1c O    10.4203  -12.9147
            25  O1c O    11.8144  -15.3404
            26  O1c O    24.4654  -19.0149
            27  O1c O    22.5627  -18.5267
            28  O1c O    23.9699  -20.9445
BOND        29
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1
            15   11  16 2
            16   13  17 2
            17   15  18 2
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   14  17 1
            23   16  18 1
            24   21  23 2
            25   21  24 1
            26   21  25 1
            27   22  26 2
            28   22  27 1
            29   22  28 1

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