KEGG   DRUG: ClomifeneHelp
Entry
D07726                      Drug                                   

Name
Clomifene (INN);
Clomiphene;
Clomifene (TN)
Formula
C26H28ClNO
Exact mass
405.1859
Mol weight
405.9596
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01619  Clomifene and tamoxifen derivative
Remark
Same as: C06917
ATC code: G03GB02
Chemical structure group: DG00474
Product (DG00474): D00962<JP/US>
Efficacy
Ovulation inducing agent, Gonadotropin stimulant, Estrogen receptor agonist/antagonist
Comment
Selective estrogen receptor modulators (SERMs)
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Structure map
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03G GONADOTROPINS AND OTHER OVULATION STIMULANTS
    G03GB Ovulation stimulants, synthetic
     G03GB02 Clomifene
      D07726  Clomifene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D07726  Clomifene (INN)
BRITE hierarchy
Other DBs
CAS: 911-45-5
PubChem: 51092022
ChEBI: 3752
ChEMBL: CHEMBL954
DrugBank: DB00882
LigandBox: D07726
NIKKAJI: J7.163C
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    16.9400  -19.3200
            2   C8x C    16.9400  -20.7200
            3   C8x C    18.1300  -21.4200
            4   C8x C    19.4600  -20.7200
            5   C8y C    19.4600  -19.3200
            6   C8x C    18.1300  -18.6200
            7   C8x C    21.8400  -20.7200
            8   C8y C    21.8400  -19.3200
            9   C2c C    20.6500  -18.6200
            10  C8x C    23.1000  -21.4200
            11  C8y C    24.2900  -20.7200
            12  C8x C    24.2900  -19.3200
            13  C8x C    23.1000  -18.6200
            14  C2c C    20.6500  -17.2200
            15  O2a O    25.4800  -21.4200
            16  C1b C    26.6700  -20.7200
            17  C1b C    27.8600  -21.4200
            18  N1c N    29.0500  -20.7200
            19  C1b C    30.2400  -21.4200
            20  C1a C    31.4300  -20.7200
            21  C1b C    29.0500  -19.3200
            22  C1a C    30.2400  -18.6200
            23  X   Cl   19.3900  -16.5200
            24  C8y C    21.8400  -16.5200
            25  C8x C    23.0300  -17.1500
            26  C8x C    24.2200  -16.4500
            27  C8x C    24.2200  -15.0500
            28  C8x C    23.0300  -14.4200
            29  C8x C    21.8400  -15.1200
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    9  14 2
            16   11  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   18  21 1
            23   21  22 1
            24   14  23 1
            25   14  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   24  29 1

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