KEGG   DRUG: Estradiol enanthateHelp
Entry
D04064                      Drug                                   

Name
Estradiol enanthate (USAN)
Formula
C25H36O3
Exact mass
384.2664
Mol weight
384.5515
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Enzyme substrate
 DG01633  CYP3A substrate
Remark
ATC code: G03CA03
Chemical structure group: DG00462
Product (DG00462): D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
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
     G03CA03 Estradiol
      D04064  Estradiol enanthate (USAN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D04064  Estradiol enanthate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D04064  Estradiol enanthate (USAN)
BRITE hierarchy
Other DBs
CAS: 4956-37-0
PubChem: 47206021
ChEMBL: CHEMBL1697792
DrugBank: DB00783
LigandBox: D04064
NIKKAJI: J13.812F
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    15.3591  -19.1390
            2   C8y C    15.3591  -20.4708
            3   C8x C    16.5507  -21.1718
            4   C8y C    17.7425  -20.4708
            5   C8y C    17.7425  -19.1390
            6   C8x C    16.5507  -18.4380
            7   C1x C    18.9340  -21.1718
            8   C1x C    20.1257  -20.4708
            9   C1y C    20.1257  -19.1390
            10  C1y C    18.9340  -18.4380
            11  C1y C    21.3173  -18.4380
            12  C1z C    21.3173  -17.1062
            13  C1x C    20.1257  -16.4053
            14  C1x C    18.9340  -17.1062
            15  C1x C    23.6305  -18.4380
            16  C1x C    23.6305  -17.1062
            17  C1y C    22.4388  -16.4053
            18  O7a O    22.4388  -15.0734
            19  C1a C    21.3173  -15.7043
            20  O1a O    14.1675  -21.1718
            21  C7a C    23.6305  -14.3725
            22  C1b C    24.8221  -15.0734
            23  O6a O    23.6305  -12.9705
            24  C1b C    26.0138  -14.3725
            25  C1b C    27.2054  -15.0734
            26  C1b C    28.4522  -14.3672
            27  C1b C    29.6274  -15.0587
            28  C1a C    30.8360  -14.3740
BOND        31
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   12  19 1 #Up
            23    2  20 1
            24   18  21 1
            25   21  22 1
            26   21  23 2
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1

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