KEGG   DRUG: EstriolHelp
Entry
D00185                      Drug                                   

Name
Estriol (JP17/USP);
Estriel (TN)
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.3814
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
Same as: C05141
Therapeutic category: 2475 2529
ATC code: G03CA04 G03CC06
Chemical structure group: DG00463
Product (DG00463): D00185<JP> D01986<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Interaction
Drug interaction
Structure map
map07047  Osteoporosis drugs
map07226  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
    G03CA Natural and semisynthetic estrogens, plain
     G03CA04 Estriol
      D00185  Estriol (JP17/USP) <JP>
    G03CC Estrogens, combinations with other drugs
     G03CC06 Estriol
      D00185  Estriol (JP17/USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2475  Estriols
     D00185  Estriol (JP17/USP)
  25  Urogenital and anal organ agents
   252  Genital organ agents
    2529  Others
     D00185  Estriol (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00185  Estriol (JP17/USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00185  Estriol
  D00185  Estriol tablets
  D00185  Estriol injection (aqueous suspension)
Drug classes of therapeutic agents [br08360.html]
 Osteoporosis drugs
  D00185
 Endocrine and hormonal agents
  D00185
BRITE hierarchy
Other DBs
CAS: 50-27-1
PubChem: 7847253
ChEBI: 27974
ChEMBL: CHEMBL193482
DrugBank: DB04573
PDB-CCD: ESL[PDBj]
LigandBox: D00185
NIKKAJI: J4.099A
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    23.5304  -17.3600
            2   C1y C    22.3397  -18.0510
            3   C1z C    23.5304  -15.9842
            4   C1x C    25.9056  -17.3661
            5   C1y C    21.1551  -17.3723
            6   C1x C    22.3460  -19.4205
            7   C1y C    24.7273  -15.2932
            8   C1x C    22.3336  -15.3055
            9   C1a C    23.4255  -14.5838
            10  C1y C    25.9119  -15.9904
            11  C8y C    19.9768  -18.0572
            12  C1x C    21.1675  -15.9287
            13  C1x C    21.1614  -20.0992
            14  O1a O    24.7273  -13.9544
            15  O1a O    27.0779  -15.3241
            16  C8y C    19.9768  -19.4145
            17  C8x C    18.7985  -17.3908
            18  C8x C    18.7985  -20.1054
            19  C8x C    17.6386  -18.0572
            20  C8y C    17.6386  -19.4145
            21  O1a O    16.4726  -20.0807
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  10 1
            22    8  12 1
            23   13  16 1
            24   19  20 1

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