KEGG   DRUG: DroloxifeneHelp
Entry
D03911                      Drug                                   

Name
Droloxifene (USAN/INN)
Formula
C26H29NO2
Exact mass
387.2198
Mol weight
387.514
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01619  Clomifene and tamoxifen derivative
  DG01620  Tamoxifene-type antineoplastic
Remark
Same as: C14296
Chemical structure group: DG01265
Efficacy
Antineoplastic, Estrogen receptor agonist/antagonist
Comment
Selective estrogen receptor modifier (SERM)
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)
     D03911  Droloxifene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 82413-20-5
PubChem: 47205902
ChEBI: 34731
ChEMBL: CHEMBL487
LigandBox: D03911
NIKKAJI: J33.138D
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    13.7200  -21.9100
            2   C8x C    13.7200  -23.3100
            3   C8x C    14.9324  -24.0100
            4   C8x C    16.1449  -23.3100
            5   C8y C    16.1449  -21.9100
            6   C8x C    14.9324  -21.2100
            7   C8x C    18.5697  -23.3100
            8   C8y C    18.5697  -21.9100
            9   C2c C    17.3573  -21.2100
            10  C8x C    19.7822  -24.0100
            11  C8y C    20.9946  -23.3100
            12  C8x C    20.9946  -21.9100
            13  C8x C    19.7822  -21.2100
            14  O1a O    12.5076  -21.2100
            15  C2c C    17.3573  -19.8100
            16  C8y C    18.5718  -19.1088
            17  C1b C    16.1469  -19.1112
            18  C1a C    14.9524  -19.8010
            19  C8x C    19.7683  -19.7998
            20  C8x C    20.9808  -19.0999
            21  C8x C    20.9809  -17.6999
            22  C8x C    19.7844  -17.0090
            23  C8x C    18.5719  -17.7088
            24  O2a O    22.2111  -24.0123
            25  C1b C    23.4086  -23.3208
            26  C1b C    24.5949  -24.0057
            27  N1c N    25.7867  -23.3174
            28  C1a C    26.9759  -24.0039
            29  C1a C    25.7867  -21.9103
BOND        31
            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    1  14 1
            16    9  15 2
            17   15  16 1
            18   15  17 1
            19   17  18 1
            20   16  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   16  23 1
            26   11  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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