KEGG   DRUG: Acolbifene hydrochloride
Entry
D02758                      Drug                                   
Name
Acolbifene hydrochloride (USAN)
Formula
C29H31NO4. HCl
Exact mass
493.2020
Mol weight
494.02
Structure
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
  DG01620  Tamoxifene-type antineoplastic
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Efficacy
Antineoplastic
Comment
Selective estrogen receptor modulators (SERM)
Prevention or treatment of breast and uterine proliferation or cancer
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
    D02758  Acolbifene hydrochloride
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   D02758  Acolbifene hydrochloride
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D02758  Acolbifene hydrochloride (USAN)
Other DBs
CAS: 252555-01-4
PubChem: 17396916
LigandBox: D02758
LinkDB
KCF data

ATOM        35
            1   C8y C    27.5800  -20.3700
            2   C8x C    27.5800  -18.9700
            3   C8x C    28.7700  -18.2700
            4   C8y C    30.0300  -18.9700
            5   C8y C    30.0300  -20.3700
            6   C8x C    28.7700  -21.0700
            7   O1a O    26.3900  -21.0700
            8   C2y C    31.2200  -18.2700
            9   C2y C    32.4100  -18.9700
            10  C1y C    32.4100  -20.3700
            11  O2x O    31.2200  -21.0700
            12  C1a C    31.2200  -16.8700
            13  C8x C    33.6700  -16.8700
            14  C8y C    33.6700  -18.2700
            15  C8x C    34.8600  -16.1700
            16  C8y C    36.0500  -16.8700
            17  C8x C    36.0500  -18.2700
            18  C8x C    34.8600  -18.9700
            19  O1a O    37.3100  -16.1700
            20  C8y C    33.6700  -21.0700
            21  C8x C    33.6700  -22.4700
            22  C8x C    34.8600  -20.3700
            23  C8x C    36.0500  -21.0700
            24  C8y C    36.0500  -22.4700
            25  C8x C    34.8600  -23.1700
            26  C1b C    38.5000  -22.4700
            27  O2a O    37.3100  -23.1700
            28  C1x C    40.9500  -21.0700
            29  N1y N    40.9500  -22.4700
            30  C1b C    39.6900  -23.1700
            31  C1x C    42.1400  -20.3700
            32  C1x C    43.3300  -21.0700
            33  C1x C    43.3300  -22.4700
            34  C1x C    42.1400  -23.1700
            35  X   Cl   46.1300  -19.6000
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     4   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12    5  11 1
            13    8  12 1
            14   13  14 2
            15    9  14 1
            16   13  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   14  18 1
            21   16  19 1
            22   20  21 2
            23   20  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   21  25 1
            28   26  27 1
            29   24  27 1
            30   28  29 1
            31   29  30 1
            32   26  30 1
            33   28  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   29  34 1
            38   10  20 1 #Down

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