KEGG DRUG: Raloxifene

DRUG: Raloxifene

Entry

D08465                      Drug

Name

Raloxifene (INN);
Eviden (TN);
Raxeto (TN)

Formula

C28H27NO4S

Exact mass

473.1661

Mol weight

473.5833

Structure

Simcomp

Class

Hormonal agent
DG01619  Estrogen receptor antagonist/modulator
  DG01621  Selective estrogen receptor modulator
Musculo-skeletal system agent
DG03232  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:K08550 K08551]

Pathway

hsa04915

Estrogen signaling pathway

hsa04961

Endocrine and other factor-regulated calcium reabsorption

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)
Drug groups [BR:br08330]
Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG01621  Selective estrogen receptor modulator
    DG00476  Raloxifene
     D08465  Raloxifene
Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG00476  Raloxifene
    D08465  Raloxifene
Target-based classification of drugs [BR:br08310]
Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D08465  Raloxifene (INN)
Drug groups [BR:br08330]
Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG01621  Selective estrogen receptor modulator
    DG00476  Raloxifene
Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG00476  Raloxifene

Other DBs

CAS:	84449-90-1

PubChem:

96025151

ChEBI:

8772

PDB-CCD:

RAL[PDBj]

LigandBox:

D08465

NIKKAJI:

J22.982B

KCF data

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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