KEGG   DRUG: Ormeloxifene
Entry
D08301                      Drug                                   
Name
Ormeloxifene (INN);
Centron (TN)
Formula
C30H35NO3
Exact mass
457.2617
Mol weight
457.60
Structure
Simcomp
Class
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Remark
ATC code: G03XC04
Efficacy
Contraceptive, Selective estrogen receptor modulator (SERM)
Comment
Clomifene, tamoxifen derivative
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
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 Ormeloxifene
      D08301  Ormeloxifene (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   D08301  Ormeloxifene
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08301  Ormeloxifene (INN)
Other DBs
CAS: 31477-60-8
PubChem: 96024988
LigandBox: D08301
LinkDB
KCF data

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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