KEGG   DRUG: FispemifeneHelp
Entry
D10008                      Drug                                   

Name
Fispemifene (USAN/INN)
Formula
C26H27ClO3
Exact mass
422.1649
Mol weight
422.9438
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01619  Clomifene and tamoxifen derivative
Efficacy
Osteoporosis agent, Estrogen receptor agonist/antagonist
Comment
Selective estrogen receptor modulators (SERMs)
Male hypogonadism, male urinary tract symptoms
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D10008  Fispemifene (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 341524-89-8
PubChem: 135626729
ChEMBL: CHEMBL2107341
LigandBox: D10008
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1b C    16.7300  -18.1300
            2   C2c C    17.9424  -18.8300
            3   C1b C    15.5176  -18.8300
            4   X   Cl   14.3221  -18.1396
            5   C8y C    19.1379  -18.1396
            6   C2c C    17.9425  -20.2298
            7   C8y C    19.1381  -20.9202
            8   C8y C    16.7132  -20.9397
            9   C8x C    15.5092  -20.2446
            10  C8x C    14.2968  -20.9447
            11  C8x C    14.2968  -22.3447
            12  C8x C    15.5008  -23.0398
            13  C8x C    16.7133  -22.3397
            14  C8x C    19.1382  -22.3297
            15  C8x C    20.3507  -23.0296
            16  C8y C    21.5630  -22.3295
            17  C8x C    21.5629  -20.9200
            18  C8x C    20.3504  -20.2201
            19  C8x C    20.3253  -18.8251
            20  C8x C    21.5377  -18.1250
            21  C8x C    21.5376  -16.7250
            22  C8x C    20.3503  -16.0396
            23  C8x C    19.1379  -16.7396
            24  O2a O    22.7735  -23.0282
            25  C1b C    23.9674  -22.3386
            26  C1b C    25.1556  -23.0245
            27  O2a O    26.3463  -22.3367
            28  C1b C    27.5361  -23.0235
            29  C1b C    28.7260  -22.3362
            30  O1a O    29.9163  -23.0233
BOND        32
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     2   5 1
            5     2   6 2
            6     6   7 1
            7     6   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    8  13 1
            14    7  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19    7  18 1
            20    5  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25    5  23 1
            26   16  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

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