KEGG   DRUG: Estradiol enanthate
Entry
D04064                      Drug                                   
Name
Estradiol enanthate (USAN)
Formula
C25H36O3
Exact mass
384.2664
Mol weight
384.55
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 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
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)
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
    D04064  Estradiol enanthate
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
    D04064  Estradiol enanthate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
     D04064  Estradiol enanthate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D04064  Estradiol enanthate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04064
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   DG00462  Estradiol
  DG01584  Estrogen receptor agonist
   DG00462  Estradiol
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00462  Estradiol
Other DBs
CAS: 4956-37-0
PubChem: 47206021
LigandBox: D04064
NIKKAJI: J13.812F
LinkDB
KCF data

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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