KEGG   DRUG: MiboleroneHelp
Entry
D05025                      Drug                                   

Name
Mibolerone (USP/INN)
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01590  Androgen receptor agonist
Remark
Same as: C14255
Efficacy
Anabolic, Androgen receptor agonist
Comment
Estrene derivative
Target
NR3C4 (AR) [HSA:367] [KO:K08557]
  Pathway
hsa04114  Oocyte meiosis
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D05025  Mibolerone (USP/INN)
BRITE hierarchy
Other DBs
CAS: 3704-09-4
PubChem: 47206752
ChEBI: 34849
ChEMBL: CHEMBL421672 CHEMBL425863
LigandBox: D05025
NIKKAJI: J8.221J
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    27.3461  -17.5012
            2   C1y C    26.2116  -18.1528
            3   C1z C    27.3515  -16.1983
            4   C1x C    29.7347  -17.5292
            5   C1y C    25.0827  -17.4843
            6   C1y C    26.2116  -19.4611
            7   C1x C    26.2341  -15.5356
            8   C1z C    28.4917  -15.5579
            9   C1a C    27.3461  -14.7553
            10  C1x C    29.7540  -16.2262
            11  C1y C    23.9427  -18.1415
            12  C1x C    25.0944  -16.1812
            13  C1x C    25.0715  -20.1070
            14  O1a O    28.4861  -13.8356
            15  C2y C    23.9371  -19.4498
            16  C1x C    22.8084  -17.4843
            17  C2x C    22.8084  -20.1014
            18  C1x C    21.5427  -18.1415
            19  C5x C    21.5348  -19.4498
            20  C1a C    29.7915  -15.2292
            21  C1a C    27.4262  -20.1684
            22  O5x O    20.3809  -20.1740
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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 1
            15   11  16 1
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19    7  12 1
            20    8  10 1
            21   13  15 1
            22   18  19 1
            23    8  20 1 #Down
            24    6  21 1 #Down
            25   19  22 2

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