KEGG   DRUG: D01602Help
Entry
D01602                      Drug                                   

Name
Mepitiostane (JP16/INN);
Thioderon (TN)
Formula
C25H40O2S
Exact mass
404.2749
Mol weight
404.6489
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiestrogen [DS:H00031]
Remark
Therapeutic category: 
Comment
prodrug, active substance: Epitiostanol [DR:D01265]
Target
estrogen receptor 1 antagonist [HSA:2099] [KO:K08550];
estrogen receptor 2 antagonist [HSA:2100] [KO:K08551]
Structure map
Antineoplastics - hormones
Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D01602  Mepitiostane (JP16/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1 [HSA:2099] [KO:K08550]
     Mepitiostane
      D01602  Mepitiostane (JP16/INN)
    estrogen receptor 2 [HSA:2100] [KO:K08551]
     Mepitiostane
      D01602  Mepitiostane (JP16/INN)
BRITE hierarchy
Other DBs
CAS: 
21362-69-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1y C    27.4273  -19.3534
            2   C1y C    27.4273  -20.7246
            3   C1x C    28.6176  -21.4101
            4   C1x C    28.6176  -18.6677
            5   C1z C    29.8010  -19.3534
            6   C1y C    29.7952  -20.7246
            7   C1x C    30.9798  -21.4153
            8   C1x C    32.1702  -20.7347
            9   C1y C    30.9916  -18.6729
            10  C1y C    32.1703  -19.3665
            11  C1x C    32.1928  -16.6312
            12  C1x C    31.0027  -17.3054
            13  C1z C    33.3714  -17.3247
            14  C1y C    33.3550  -18.6882
            15  C1x C    35.7165  -18.7168
            16  C1x C    35.7331  -17.3534
            17  C1y C    34.5605  -16.6573
            18  O2a O    34.5771  -15.2861
            19  S2x S    26.2362  -20.0322
            20  C1a C    33.3623  -15.9531
            21  C1a C    29.7888  -17.9821
            22  C1x C    37.1301  -14.3675
            23  C1x C    37.5634  -13.0639
            24  C1x C    36.4510  -12.2549
            25  C1x C    35.3387  -13.0639
            26  C1z C    35.7654  -14.3673
            27  O2a O    36.5133  -15.5165
            28  C1a C    37.8827  -15.3732
BOND        33
            1     7   8 1
            2    13  14 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6    14  15 1
            7     8  10 1
            8    17  18 1 #Up
            9     9   5 1
            10    1  19 1 #Down
            11    5   4 1
            12    4   1 1
            13   13  20 1 #Up
            14    1   2 1
            15    5  21 1 #Up
            16    9  10 1
            17   10  14 1
            18   13  11 1
            19   11  12 1
            20   12   9 1
            21    2   3 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  22 1
            27   18  26 1
            28    3   6 1
            29   26  27 1
            30    5   6 1
            31   27  28 1
            32    6   7 1
            33    2  19 1 #Down

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