KEGG   DRUG: Arzoxifene hydrochlorideHelp
Entry
D02993                      Drug                                   

Name
Arzoxifene hydrochloride (USAN)
Formula
C28H29NO4S. HCl
Exact mass
511.1584
Mol weight
512.0601
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01620  Tamoxifene-type antineoplastic
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
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D02993  Arzoxifene hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 182133-27-3
PubChem: 17397149
ChEMBL: CHEMBL2105949
LigandBox: D02993
LinkDB All DBs
KCF data Show

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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