KEGG   DRUG: Estradiol valerateHelp
Entry
D01413                      Drug                                   

Name
Estradiol valerate (JAN/USP/INN);
Deladumone (TN)
Product
  Generic
Formula
C23H32O3
Exact mass
356.2351
Mol weight
356.4984
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C12859
Therapeutic category: 2473
ATC code: G03CA03
Chemical structure group: DG00462
Product (DG00462): D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US>
Product (mixture): D10461<US> D04454<JP>
Efficacy
Menstruation disorder agent, Estrogen receptor agonist
  Disease
Advanced androgen-dependent carcinoma of the prostate [DS:H00024]
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
      D01413  Estradiol valerate (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Estrogens
   Estradiol
    D01413  Estradiol valerate (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2473  Estradiols
     D01413  Estradiol valerate (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01413  Estradiol valerate (JAN/USP/INN) <JP/US>
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D01413
BRITE hierarchy
Other DBs
CAS: 979-32-8
PubChem: 7848476
ChEBI: 31561
ChEMBL: CHEMBL1511
DrugBank: DB00783
LigandBox: D01413
NIKKAJI: J7.207I
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1y C    21.7770  -18.3828
            2   C1y C    20.5804  -19.0567
            3   C1z C    21.7886  -17.0060
            4   C1x C    24.1646  -18.4002
            5   C1y C    19.3954  -18.3596
            6   C1x C    20.5804  -20.4276
            7   C1y C    22.9854  -16.3321
            8   C1x C    20.6036  -16.3148
            9   C1a C    21.7364  -15.7861
            10  C1x C    24.1762  -17.0292
            11  C8y C    18.1987  -19.0392
            12  C1x C    19.4069  -16.9827
            13  C1x C    19.3895  -21.1131
            14  O7a O    22.9738  -14.9555
            15  C8y C    18.1929  -20.4160
            16  C8x C    17.0194  -18.3537
            17  C8x C    17.0194  -21.1072
            18  C8x C    15.8286  -19.0392
            19  C8y C    15.8286  -20.4160
            20  O1a O    14.6261  -21.1072
            21  C7a C    24.1719  -14.2605
            22  C1b C    25.3722  -14.9485
            23  C1b C    26.5725  -14.2536
            24  C1b C    27.7727  -14.9415
            25  O6a O    24.1648  -12.8707
            26  C1a C    28.9742  -14.2427
BOND        29
            1     7  10 1
            2     8  12 1
            3    13  15 1
            4    18  19 1
            5     1   2 1
            6     1   3 1
            7     1   4 1
            8     2   5 1
            9     2   6 1
            10    3   7 1
            11    3   8 1
            12    3   9 1 #Up
            13    4  10 1
            14    5  11 1
            15    5  12 1
            16    6  13 1
            17    7  14 1 #Up
            18   11  15 2
            19   14  21 1
            20   11  16 1
            21   21  22 1
            22   15  17 1
            23   22  23 1
            24   16  18 2
            25   23  24 1
            26   17  19 2
            27   21  25 2
            28   19  20 1
            29   24  26 1

» Japanese version   » Back

DBGET integrated database retrieval system