KEGG   DRUG: Polyestradiol phosphateHelp
Entry
D07434                      Drug                                   

Name
Polyestradiol phosphate (INN);
Estradurin (TN)
Formula
(C18H22O4P)n
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
ATC code: L02AA02
Efficacy
Antineoplastic, Estrogen receptor agonist
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
Interaction
Drug interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AA Estrogens
     L02AA02 Polyestradiol phosphate
      D07434  Polyestradiol phosphate (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D07434  Polyestradiol phosphate (INN)
BRITE hierarchy
Other DBs
CAS: 28014-46-2
PubChem: 51091766
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    20.3700  -22.9600
            2   C8x C    20.3700  -24.3600
            3   C8x C    21.5600  -25.0600
            4   C8y C    22.8200  -24.3600
            5   C8y C    22.8200  -22.9600
            6   C8x C    21.5600  -22.2600
            7   C1x C    24.0100  -25.0600
            8   C1x C    25.2000  -24.3600
            9   C1y C    25.2000  -22.9600
            10  C1y C    24.0100  -22.2600
            11  C1y C    26.4600  -22.2600
            12  C1z C    26.4600  -20.8600
            13  C1x C    25.2000  -20.1600
            14  C1x C    24.0100  -20.8600
            15  C1a C    26.4600  -19.4600
            16  Z   *    18.6200  -24.3600
            17  C1x C    28.8849  -22.2600
            18  C1x C    28.8849  -20.8600
            19  C1y C    27.6724  -20.1600
            20  O2b O    27.6724  -18.7602
            21  P1b P    28.8680  -18.0698
            22  O1c O    30.0614  -17.3757
            23  O1c O    29.5584  -19.2616
            24  O1c O    28.1551  -16.8390
            25  Z   *    32.4984  -19.2616
            26  Z   *    32.5057  -17.3544
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   12  15 1 #Up
            18    2  16 1
            19   11  17 1
            20   17  18 1
            21   18  19 1
            22   12  19 1
            23   19  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 1
            27   21  24 2
            28   23  25 1
            29   22  26 1
BRACKET     1    20.0900  -25.5500   20.0900  -15.9600
            1    31.6400  -16.1700   31.6400  -25.7600
            1  n
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  18  20  21  22  23  24  25  26  27
 REPEAT    1

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