KEGG   DRUG: D08301Help
Entry
D08301                      Drug                                   

Name
Ormeloxifene (INN);
Centron (TN)
Formula
C30H35NO3
Exact mass
457.2617
Mol weight
457.6038
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiestrogen;
Contraceptive
Remark
ATC code: 
Comment
Selective estrogen receptor modulators (SERMs)
Target
estrogen receptor 1 agonist/antagonist [HSA:2099] [KO:K08550];
estrogen receptor 2 agonist/antagonist [HSA:2100] [KO:K08551]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XC Selective estrogen receptor modulators
     G03XC04 Ormeloxifen
      D08301  Ormeloxifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Ormeloxifene
      D08301  Ormeloxifene (INN)
    estrogen receptor 2
     Ormeloxifene
      D08301  Ormeloxifene (INN)
BRITE hierarchy
Other DBs
CAS: 
31477-60-8
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    15.1900  -20.3000
            2   C8x C    15.1900  -21.7000
            3   C8x C    16.4024  -22.4000
            4   C8y C    17.6149  -21.7000
            5   C8x C    17.6149  -20.3000
            6   C8x C    16.4024  -19.6000
            7   O2a O    18.8460  -22.4110
            8   C1b C    20.0512  -21.7153
            9   C1b C    21.2335  -22.3981
            10  N1y N    22.4275  -21.7088
            11  C1x C    23.7490  -22.0745
            12  C1x C    24.5088  -20.9329
            13  C1x C    23.6578  -19.8575
            14  C1x C    22.3721  -20.3345
            15  C1y C    13.9776  -19.6000
            16  C1y C    13.9776  -18.2002
            17  C1z C    12.7651  -17.5002
            18  O2x O    11.5527  -18.2002
            19  C8y C    11.5527  -19.6000
            20  C8y C    12.7651  -20.3000
            21  C8x C    10.3403  -20.3000
            22  C8y C    10.3403  -21.7000
            23  C8x C    11.5527  -22.4000
            24  C8x C    12.7651  -21.7000
            25  O2a O     9.1427  -22.3915
            26  C1a C     7.9544  -21.7055
            27  C8y C    15.2068  -17.4903
            28  C8x C    16.4108  -18.1854
            29  C8x C    17.6232  -17.4854
            30  C8x C    17.6231  -16.0854
            31  C8x C    16.4192  -15.3903
            32  C8x C    15.2068  -16.0903
            33  C1a C    11.7752  -16.5102
            34  C1a C    13.7551  -16.5102
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16   15   1 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   19  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   20  24 2
            28   22  25 1
            29   25  26 1
            30   16  27 1 #Down
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   27  32 1
            37   17  33 1
            38   17  34 1

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