KEGG   DRUG: MesteroloneHelp
Entry
D04947                      Drug                                   

Name
Mesterolone (USAN/INN)
Formula
C20H32O2
Exact mass
304.2402
Mol weight
304.4669
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 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
Interaction
Drug interaction
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)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D04947  Mesterolone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1424-00-6
PubChem: 47206693
ChEMBL: CHEMBL258918
LigandBox: D04947
NIKKAJI: J7.487J
LinkDB All DBs
KCF data Show

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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