KEGG   DRUG: Clomiphene citrate
Entry
D00962                      Drug                                   
Name
Clomiphene citrate (USP);
Clomifene citrate (JP18);
Clomid (TN);
Serophene (TN)
Product
  Generic
Formula
C26H28ClNO. C6H8O7
Exact mass
597.2129
Mol weight
598.08
Structure
Simcomp
Class
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
Remark
Same as: C08161
Therapeutic category: 2499
ATC code: G03GB02
Chemical structure group: DG00474
Product (DG00474): D00962<JP/US>
Efficacy
Ovulation inducing agent, Gonadotropin stimulant, Estrogen receptor agonist/antagonist
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
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
      D00962  Clomiphene citrate (USP) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Selective Estrogen Receptor Modifying Agents
   Clomiphene
    D00962  Clomiphene citrate (USP)
 Infertility Agents
  Clomiphene
   D00962  Clomiphene citrate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00962  Clomiphene citrate (USP); Clomifene citrate (JP18)
Drug groups [BR:br08330]
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00474  Clomifene
    D00962  Clomiphene citrate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00962  Clomiphene citrate (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00962  Clomifene citrate
  D00962  Clomifene citrate tablets
Drug groups [BR:br08330]
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG00474  Clomifene
Other DBs
CAS: 50-41-9
PubChem: 7848025
ChEBI: 3753
LigandBox: D00962
NIKKAJI: J231.232H
LinkDB
KCF data

ATOM        42
            1   C1d C    35.8776  -18.6355
            2   C1b C    34.6156  -19.3365
            3   C1b C    37.0695  -19.3365
            4   C6a C    36.5787  -17.3735
            5   O1a O    35.1064  -17.3735
            6   C6a C    33.4238  -18.6355
            7   C6a C    37.0695  -20.7387
            8   O6a O    35.8075  -16.1816
            9   O6a O    37.9108  -17.3735
            10  O6a O    32.2319  -19.3365
            11  O6a O    33.4238  -17.2333
            12  O6a O    38.2613  -21.3697
            13  O6a O    35.8075  -21.3697
            14  C8x C    15.5458  -19.8273
            15  C8x C    15.5458  -21.2295
            16  C8x C    16.7377  -21.9306
            17  C8x C    17.9996  -21.2295
            18  C8y C    17.9996  -19.8273
            19  C8x C    16.7377  -19.1262
            20  C8x C    20.3834  -21.2295
            21  C8y C    20.3834  -19.8273
            22  C2c C    19.1915  -19.1262
            23  C8x C    21.6453  -21.9306
            24  C8y C    22.8372  -21.2295
            25  C8x C    22.8372  -19.8273
            26  C8x C    21.6453  -19.1262
            27  C2c C    19.1915  -17.7240
            28  O2a O    24.0544  -21.9257
            29  C1b C    25.2447  -21.2318
            30  C1b C    26.4429  -21.9171
            31  N1c N    27.6260  -21.2276
            32  C1b C    28.8279  -21.9151
            33  C1a C    30.0092  -21.2266
            34  C1b C    27.6203  -19.8274
            35  C1a C    28.8201  -19.1281
            36  X   Cl   17.9772  -17.0229
            37  C8y C    20.4013  -17.0255
            38  C8x C    21.5835  -17.7081
            39  C8x C    22.7960  -17.0082
            40  C8x C    22.7960  -15.6082
            41  C8x C    21.6137  -14.9256
            42  C8x C    20.4013  -15.6255
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   20  21 1
            20   21  22 1
            21   18  22 1
            22   20  23 2
            23   23  24 1
            24   24  25 2
            25   25  26 1
            26   21  26 2
            27   22  27 2
            28   24  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   31  34 1
            35   34  35 1
            36   27  36 1
            37   27  37 1
            38   37  38 2
            39   38  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   37  42 1

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