KEGG   DRUG: RaloxifeneHelp
Entry
D08465                      Drug                                   

Name
Raloxifene (INN);
Eviden (TN);
Raxeto (TN)
Formula
C28H27NO4S
Exact mass
473.1661
Mol weight
473.5833
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01621  Cloimifene-type osteoporosis agent
Remark
Same as: C07228
ATC code: G03XC01
Chemical structure group: DG00476
Product (DG00476): D02217<JP/US> D10606<JP>
Efficacy
Osteoporosis agent, Selective estrogen receptor modulator (SERM)
Comment
Benzothiophene derivative
Target
NR3A (ESR) [HSA:2099 2100] [KO:K080550 K08551]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Interaction
Drug interaction
Structure map
map07043  Antineoplastics - hormones
map07047  Osteoporosis drugs
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
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
     G03XC01 Raloxifene
      D08465  Raloxifene (INN)
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Selective Estrogen Receptor Modifying Agents
   Raloxifene
    D08465  Raloxifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    estrogen receptor 1
     Raloxifene
      D08465  Raloxifene (INN)
    estrogen receptor 2
     Raloxifene
      D08465  Raloxifene (INN)
BRITE hierarchy
Other DBs
CAS: 84449-90-1
PubChem: 96025151
ChEBI: 8772
ChEMBL: CHEMBL81
DrugBank: DB00481
PDB-CCD: RAL[PDBj]
LigandBox: D08465
NIKKAJI: J22.982B
KCF data Show

ATOM        34
            1   C8y C    18.6200  -17.5000
            2   C8x C    18.6200  -18.9000
            3   C8x C    19.8100  -19.6000
            4   C8y C    21.0700  -18.9000
            5   C8x C    21.0700  -17.5000
            6   C8x C    19.8100  -16.8000
            7   C5a C    17.4300  -16.8000
            8   C8y C    16.2400  -17.5000
            9   O5a O    17.4300  -15.4000
            10  O2a O    22.2600  -19.6000
            11  C1b C    23.4500  -18.9000
            12  C1b C    24.6400  -19.6000
            13  N1y N    25.8300  -18.9000
            14  C1x C    27.0900  -19.6000
            15  C1x C    28.3500  -18.9000
            16  C1x C    28.3500  -17.5000
            17  C1x C    27.1600  -16.8000
            18  C1x C    25.8300  -17.5000
            19  C8y C    15.1200  -16.6600
            20  S2x S    14.0000  -17.4300
            21  C8y C    14.4200  -18.7600
            22  C8y C    15.7500  -18.7600
            23  C8x C    13.6500  -19.9500
            24  C8y C    14.3500  -21.2800
            25  C8x C    15.7500  -21.2800
            26  C8x C    16.4500  -20.0200
            27  C8y C    15.1200  -15.2600
            28  C8x C    13.9300  -13.1600
            29  C8x C    13.9300  -14.5600
            30  C8x C    16.3800  -14.5600
            31  C8x C    16.3800  -13.1600
            32  C8y C    15.1200  -12.4600
            33  O1a O    15.1200  -11.0600
            34  O1a O    13.6500  -22.4700
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     1   7 1
            8     7   8 1
            9     7   9 2
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20    8  19 2
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24    8  22 1
            25   21  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   22  26 2
            30   19  27 1
            31   28  29 2
            32   29  27 1
            33   30  31 1
            34   31  32 2
            35   28  32 1
            36   32  33 1
            37   27  30 2
            38   24  34 1

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