KEGG   DRUG: EnclomipheneHelp
Entry
D08910                      Drug                                   

Name
Enclomiphene (USAN);
trans-Clomiphene
Formula
C26H28ClNO
Exact mass
405.1859
Mol weight
405.9596
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Remark
Chemical structure group: DG01992
Efficacy
Gonadotropin stimulant, Estrogen receptor agonist/antagonist
Comment
trans isomer of Clomiphene [DR:D07726]
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)
     D08910  Enclomiphene (USAN)
BRITE hierarchy
Other DBs
CAS: 15690-57-0
PubChem: 96025593
ChEMBL: CHEMBL954
LigandBox: D08910
NIKKAJI: J9.012C
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    11.3368  -17.5596
            2   C8x C    11.3368  -18.9588
            3   C8x C    12.5484  -19.6584
            4   C8x C    13.7601  -18.9588
            5   C8y C    13.7601  -17.5596
            6   C8x C    12.5484  -16.8601
            7   C2c C    14.9906  -16.8491
            8   C8y C    16.1950  -17.5443
            9   C2c C    14.9903  -15.4610
            10  C8y C    16.1900  -14.7679
            11  C8x C    16.1954  -18.9584
            12  C8x C    17.4073  -19.6577
            13  C8y C    18.6188  -18.9577
            14  C8x C    18.6183  -17.5435
            15  C8x C    17.4065  -16.8444
            16  O2a O    19.8241  -19.6584
            17  C1b C    21.0357  -18.9588
            18  C1b C    22.2473  -19.6584
            19  N1c N    23.4590  -18.9588
            20  C1b C    24.6708  -19.6584
            21  C1a C    25.8825  -18.9588
            22  C1b C    23.4590  -17.5597
            23  C1a C    24.6705  -16.8603
            24  X   Cl   13.7539  -14.7474
            25  C8x C    17.3884  -15.4596
            26  C8x C    18.6007  -14.7594
            27  C8x C    18.6005  -13.3594
            28  C8x C    17.4022  -12.6678
            29  C8x C    16.1898  -13.3679
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     5   7 1
            8     7   8 1
            9     7   9 2
            10    9  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    8  15 1
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   19  22 1
            24   22  23 1
            25    9  24 1
            26   10  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   10  29 1

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