KEGG   DRUG: Arzoxifene hydrochloride
Entry
D02993                      Drug                                   
Name
Arzoxifene hydrochloride (USAN)
Formula
C28H29NO4S. HCl
Exact mass
511.1584
Mol weight
512.06
Structure
Simcomp
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
  DG01620  Tamoxifene-type antineoplastic
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Efficacy
Antineoplastic, Selective estrogen receptor modulator (SERM)
Comment
Treatment of symptoms associated with uterine fibroids, endometriosis, and dysfunctional uterine bleeding, In the treatment of estrogen receptor positive recurrent/metastatic breast cancer, As an adjuvant to breast cancer therapy
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG01620  Tamoxifene-type antineoplastic
    D02993  Arzoxifene hydrochloride
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   D02993  Arzoxifene hydrochloride
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D02993  Arzoxifene hydrochloride (USAN)
Other DBs
CAS: 182133-27-3
PubChem: 17397149
LigandBox: D02993
LinkDB
KCF data

ATOM        35
            1   C8y C    17.5700  -26.0400
            2   C8x C    17.5700  -27.4400
            3   C8x C    18.7600  -28.1400
            4   C8y C    20.0200  -27.4400
            5   C8x C    20.0200  -26.0400
            6   C8x C    18.7600  -25.3400
            7   O2a O    16.3800  -25.3400
            8   C8y C    15.1900  -26.0400
            9   O2a O    21.2100  -28.1400
            10  C1b C    22.4000  -27.4400
            11  C1b C    23.5900  -28.1400
            12  N1y N    24.7800  -27.4400
            13  C1x C    26.0400  -28.1400
            14  C1x C    27.3000  -27.4400
            15  C1x C    27.3000  -26.0400
            16  C1x C    26.1100  -25.3400
            17  C1x C    24.7800  -26.0400
            18  C8y C    14.0700  -25.2000
            19  S2x S    12.9500  -25.9700
            20  C8y C    13.3700  -27.3000
            21  C8y C    14.7000  -27.3000
            22  C8x C    12.6000  -28.4900
            23  C8y C    13.3000  -29.8200
            24  C8x C    14.7000  -29.8200
            25  C8x C    15.4000  -28.5600
            26  C8y C    14.0700  -23.8000
            27  C8x C    12.8800  -21.7000
            28  C8x C    12.8800  -23.1000
            29  C8x C    15.3300  -23.1000
            30  C8x C    15.3300  -21.7000
            31  C8y C    14.0700  -21.0000
            32  O2a O    14.0700  -19.6000
            33  O1a O    12.6000  -31.0100
            34  C1a C    15.2824  -18.9000
            35  X   Cl   23.1700  -22.0500
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     4   9 1
            10    9  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   12  17 1
            19    8  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23    8  21 1
            24   20  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   21  25 2
            29   18  26 1
            30   27  28 2
            31   28  26 1
            32   29  30 1
            33   30  31 2
            34   27  31 1
            35   31  32 1
            36   26  29 2
            37   23  33 1
            38   32  34 1

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