KEGG   DRUG: IdoxifeneHelp
Entry
D04496                      Drug                                   

Name
Idoxifene (USAN/INN)
Formula
C28H30INO
Exact mass
523.1372
Mol weight
523.4484
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01620  Tamoxifene-type antineoplastic
  DG01621  Cloimifene-type osteoporosis agent
Efficacy
Antineoplastic, Osteoporosis agent, Selective estrogen receptor modulator (SERM)
Comment
Clomifene, tamoxifen derivative
Osteoporosis treatment and prevention
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)
     D04496  Idoxifene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 116057-75-1
PubChem: 47206344
ChEMBL: CHEMBL6318
LigandBox: D04496
NIKKAJI: J254.116E
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    12.0874  -17.6002
            2   C8y C    12.0874  -19.0079
            3   C8x C    13.3065  -19.7118
            4   C8x C    14.5257  -19.0079
            5   C8y C    14.5257  -17.6002
            6   C8x C    13.3065  -16.8964
            7   C8x C    16.9638  -19.0079
            8   C8y C    16.9638  -17.6002
            9   C2c C    15.7447  -16.8964
            10  C8x C    18.1830  -19.7118
            11  C8y C    19.4021  -19.0079
            12  C8x C    19.4021  -17.6002
            13  C8x C    18.1830  -16.8964
            14  C2c C    15.7447  -15.4887
            15  C8y C    16.9659  -14.7836
            16  C1b C    14.5277  -14.7860
            17  X   I    10.8683  -19.7118
            18  C1a C    13.3266  -15.4796
            19  C8x C    18.1690  -15.4784
            20  C8x C    19.3882  -14.7747
            21  C8x C    19.3883  -13.3669
            22  C8x C    18.1852  -12.6722
            23  C8x C    16.9660  -13.3759
            24  O2a O    20.6253  -19.7141
            25  C1b C    21.8294  -19.0188
            26  C1b C    23.0222  -19.7075
            27  N1y N    24.2175  -19.0155
            28  C1x C    25.5385  -19.4155
            29  C1x C    26.3270  -18.2828
            30  C1x C    25.4935  -17.1828
            31  C1x C    24.1897  -17.6356
BOND        34
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   14  15 1
            17   14  16 1
            18    2  17 1
            19   16  18 1
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   15  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   27  31 1

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