KEGG   DRUG: MestanoloneHelp
Entry
D01533                      Drug                                   

Name
Mestanolone (JAN/INN);
Mesanolon (TN)
Formula
C20H32O2
Exact mass
304.2402
Mol weight
304.4669
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
  DG01605  Anabolic steroid
Efficacy
Anabolic
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
Interaction
Drug interaction
Structure map
map07047  Osteoporosis drugs
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D01533  Mestanolone (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 521-11-9
PubChem: 7848596
ChEBI: 31825
ChEMBL: CHEMBL261514
LigandBox: D01533
NIKKAJI: J5.180B
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1x C    28.5717  -17.9873
            2   C5x C    28.5717  -19.3462
            3   C1x C    29.7514  -20.0257
            4   C1x C    29.7514  -17.3078
            5   C1z C    30.9242  -17.9873
            6   C1y C    30.9185  -19.3462
            7   C1x C    32.0925  -20.0307
            8   C1x C    33.2722  -19.3562
            9   C1y C    32.1040  -17.3129
            10  C1y C    33.2722  -18.0001
            11  C1x C    33.2944  -15.2895
            12  C1x C    32.1152  -15.9574
            13  C1z C    34.4628  -15.9766
            14  C1y C    34.4464  -17.3279
            15  C1x C    36.7868  -17.3564
            16  C1x C    36.8032  -16.0050
            17  C1z C    35.6412  -15.3153
            18  O1a O    35.6575  -13.6783
            19  C1a C    34.4536  -14.6174
            20  C1a C    30.9120  -16.6283
            21  C1a C    36.8147  -14.6242
            22  O5x O    27.3951  -20.0263
BOND        25
            1    11  12 1
            2    12   9 1
            3     2   3 1
            4     3   6 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8    13  14 1
            9    15  16 1
            10   16  17 1
            11   17  13 1
            12   14  15 1
            13    8  10 1
            14   17  18 1 #Up
            15    9   5 1
            16   13  19 1 #Up
            17    5   4 1
            18    4   1 1
            19    5  20 1 #Up
            20    1   2 1
            21    9  10 1
            22   10  14 1
            23   17  21 1 #Down
            24   13  11 1
            25    2  22 2

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