KEGG   DRUG: Metandienone
Entry
D00389                      Drug                                   
Name
Metandienone (INN);
Methandrostenolone;
Dianabol (TN)
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.43
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
ATC code: A14AA03 D11AE01
Efficacy
Anabolic, Androgen receptor agonist
Comment
Androstan derivative
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
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
     A14AA03 Metandienone
      D00389  Metandienone (INN)
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AE Androgens for topical use
     D11AE01 Metandienone
      D00389  Metandienone (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    D00389  Metandienone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00389  Metandienone (INN)
Other DBs
CAS: 72-63-9
PubChem: 7847455
ChEBI: 6810
LigandBox: D00389
NIKKAJI: J5.252C
LinkDB
KCF data

ATOM        22
            1   C1y C    24.7158  -17.3365
            2   C1y C    23.5376  -16.6424
            3   C1y C    25.8937  -16.6600
            4   C1x C    24.7158  -18.7012
            5   C1z C    22.3537  -17.3249
            6   C1x C    23.5493  -15.2836
            7   C1z C    25.9113  -15.3011
            8   C1x C    28.2558  -16.6891
            9   C1x C    23.5259  -19.3778
            10  C2y C    22.3479  -18.6896
            11  C2x C    21.1698  -16.6367
            12  C1x C    24.7391  -14.6071
            13  C1z C    27.1010  -14.6362
            14  C1x C    28.2732  -15.3303
            15  C2x C    21.1698  -19.3718
            16  C2x C    19.9801  -17.3249
            17  C1a C    28.4249  -13.8022
            18  O1a O    27.1069  -12.9099
            19  C5x C    19.9801  -18.6896
            20  O5x O    18.8020  -19.3718
            21  C1a C    22.3537  -15.9249
            22  C1a C    25.9113  -13.9011
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 2
            15   11  16 2
            16   13  17 1 #Down
            17   13  18 1 #Up
            18   15  19 1
            19   19  20 2
            20    7  12 1
            21    9  10 1
            22   13  14 1
            23   16  19 1
            24    5  21 1 #Up
            25    7  22 1 #Up

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