KEGG   DRUG: Methandriol
Entry
D08196                      Drug                                   
Name
Methandriol (INN);
Orabol [veterinary] (TN)
Formula
C20H32O2
Exact mass
304.2402
Mol weight
304.4669
Structure
Simcomp
Class
Hormonal agent
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Remark
Same as: C14493
Chemical structure group: DG01276
Efficacy
Anabolic, Androgen receptor agonist
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG01276  Methandriol
     D08196  Methandriol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08196  Methandriol (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG01605  Anabolic steroid
    DG01276  Methandriol
Other DBs
CAS: 521-10-8
PubChem: 96024886
ChEBI: 34834
LigandBox: D08196
NIKKAJI: J6.609E
LinkDB
KCF data

ATOM        22
            1   C1x C    20.5800  -18.9000
            2   C1y C    20.5800  -20.3000
            3   C1x C    21.7000  -20.9300
            4   C2y C    22.8900  -20.3000
            5   C1z C    22.8900  -18.9000
            6   C1x C    21.7000  -18.2700
            7   C2x C    24.0800  -20.9300
            8   C1x C    25.2700  -20.3000
            9   C1y C    25.2700  -18.9000
            10  C1y C    24.0800  -18.2700
            11  C1y C    26.4600  -18.2700
            12  C1z C    26.4600  -16.8700
            13  C1x C    25.2700  -16.1700
            14  C1x C    24.0800  -16.8700
            15  C1x C    28.8400  -18.2700
            16  C1x C    28.8400  -16.8700
            17  C1z C    27.6500  -16.1700
            18  C1a C    26.4600  -15.5400
            19  O1a O    27.6500  -14.8400
            20  O1a O    19.3200  -21.0000
            21  C1a C    28.9800  -15.8200
            22  C1a C    22.8900  -17.5000
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 2
            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   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 1 #Up
            24   17  21 1 #Down
            25    5  22 1 #Up

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