KEGG   DRUG: Mesterolone
Entry
D04947                      Drug                                   
Name
Mesterolone (USAN/INN)
Formula
C20H32O2
Exact mass
304.2402
Mol weight
304.4669
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
Remark
ATC code: G03BB01
Efficacy
Anabolic, Androgen receptor agonist
Comment
Androstan derivative
5alpha-Dihydrotestosterone [CPD:C03917] derivative
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03B ANDROGENS
    G03BB 5-androstanon (3) derivatives
     G03BB01 Mesterolone
      D04947  Mesterolone (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   D04947  Mesterolone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D04947  Mesterolone (USAN/INN)
Other DBs
CAS: 1424-00-6
PubChem: 47206693
LigandBox: D04947
NIKKAJI: J7.487J
KCF data

ATOM        22
            1   C1x C    26.0400  -20.3000
            2   C5x C    26.0400  -21.7000
            3   C1x C    27.2300  -22.4000
            4   C1y C    28.4900  -21.7000
            5   C1z C    28.4900  -20.3000
            6   C1y C    27.2300  -19.6000
            7   C1x C    29.6800  -22.4000
            8   C1x C    30.8700  -21.7000
            9   C1y C    30.8700  -20.3000
            10  C1y C    29.6800  -19.6000
            11  C1y C    32.1300  -19.6000
            12  C1z C    32.1300  -18.2000
            13  C1x C    30.8700  -17.5000
            14  C1x C    29.6800  -18.2000
            15  O5x O    24.8500  -22.4000
            16  C1a C    28.4900  -18.9000
            17  C1a C    32.1300  -16.8000
            18  C1a C    27.2300  -18.2000
            19  C1x C    34.5800  -19.6000
            20  C1x C    34.5800  -18.2000
            21  C1y C    33.3200  -17.5000
            22  O1a O    33.3200  -16.1000
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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   14  10 1
            17    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20    6  18 1 #Down
            21   11  19 1
            22   19  20 1
            23   20  21 1
            24   21  12 1
            25   21  22 1 #Up

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  All links  
Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   HMDB (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (10)   

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