KEGG   DRUG: Sodium prasterone sulfate hydrate
Entry
D01616                      Drug                                   
Name
Sodium prasterone sulfate hydrate (JP18);
Mylis (TN)
Formula
C19H27O5S. 2H2O. Na
Exact mass
426.1688
Mol weight
426.50
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
ATC code: A14AA07 G03XX01
Chemical structure group: DG00141
Product (DG00141): D08409<US>
Efficacy
Accelerator (cervical ripening), Androgen receptor agonist
Comment
Androstan derivative
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A14 ANABOLIC AGENTS FOR SYSTEMIC USE
   A14A ANABOLIC STEROIDS
    A14AA Androstan derivatives
     A14AA07 Prasterone
      D01616  Sodium prasterone sulfate hydrate (JP18)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XX Other sex hormones and modulators of the genital system
     G03XX01 Prasterone
      D01616  Sodium prasterone sulfate hydrate (JP18)
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG00141  Prasterone
     D01616  Sodium prasterone sulfate hydrate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D01616  Sodium prasterone sulfate hydrate (JP18)
   3-Ketosteroid receptor
    NR3C4 (AR)
     D01616  Sodium prasterone sulfate hydrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01616  Sodium prasterone sulfate hydrate
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG00141  Prasterone
Other DBs
CAS: 78590-17-7
PubChem: 7848679
ChEBI: 32148
LigandBox: D01616
LinkDB
KCF data

ATOM        28
            1   O0  O    32.6778  -20.9384
            2   Z   Na   18.6849  -19.9596 #+
            3   C1x C    24.8902  -17.8929
            4   C1y C    24.8902  -19.2616
            5   C1x C    26.0783  -19.9458
            6   C1x C    26.0783  -17.2085
            7   C1z C    27.2595  -17.8929
            8   C2y C    27.2535  -19.2616
            9   C2x C    28.4358  -19.9510
            10  C1x C    29.6241  -19.2716
            11  C1y C    28.4476  -17.2137
            12  C1y C    29.6241  -17.9060
            13  C1x C    29.6465  -15.1758
            14  C1x C    28.3887  -15.8487
            15  C1z C    30.8231  -15.8680
            16  C1y C    30.8066  -17.2289
            17  C1x C    33.1637  -17.1875
            18  C1x C    33.1803  -15.8967
            19  C5x C    32.0099  -15.2019
            20  C1a C    30.8139  -14.4990
            21  C1a C    27.2472  -16.5243
            22  O2a O    23.7052  -19.9465
            23  S4a S    22.3326  -19.9390
            24  O1d O    20.9639  -19.9321 #-
            25  O1d O    22.3397  -18.5704
            26  O1d O    22.3213  -21.3076
            27  O5x O    31.9571  -13.7881
            28  O0  O    32.6778  -20.9384
BOND        28
            1    12  16 1
            2    15  13 1
            3    13  14 1
            4    14  11 1
            5     7   6 1
            6     6   3 1
            7    15  16 1
            8    17  18 1
            9    18  19 1
            10   19  15 1
            11   16  17 1
            12    7   8 1
            13   15  20 1 #Up
            14    8   9 2
            15    9  10 1
            16    7  21 1 #Up
            17   10  12 1
            18    4  22 1 #Up
            19   11   7 1
            20    3   4 1
            21   22  23 1
            22    4   5 1
            23   23  24 1
            24    5   8 1
            25   23  25 2
            26   11  12 1
            27   23  26 2
            28   19  27 2
BRACKET     1    30.4500  -21.7000   30.4500  -20.2300
            1    33.3200  -20.2300   33.3200  -21.7000
            1  2
 ORIGINAL  1    1
 REPEAT    1   31

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