KEGG   DRUG: ChlorotrianiseneHelp
Entry
D00269                      Drug                                   

Name
Chlorotrianisene (INN);
TACE (TN)
Formula
C23H21ClO3
Exact mass
380.1179
Mol weight
380.864
Structure
Mol fileKCF fileDB search
Remark
ATC code: G03CA06
Efficacy
Menstruation disorder agent
Comment
Estrogen
Target
NR3A (ESR) [HSA:2099 2100] [KO:K08550 K08551]
  Pathway
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CA Natural and semisynthetic estrogens, plain
     G03CA06 Chlorotrianisene
      D00269  Chlorotrianisene (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A (ESR)
     D00269  Chlorotrianisene (INN)
BRITE hierarchy
Other DBs
CAS: 569-57-3
PubChem: 7847335
ChEBI: 3641
ChEMBL: CHEMBL1200761
DrugBank: DB00269
LigandBox: D00269
NIKKAJI: J6.531E
LinkDB All DBs
KCF data Show

ATOM        27
            1   C2c C    21.0568  -15.8724
            2   C8y C    19.8455  -16.5772
            3   C8y C    22.2684  -16.5713
            4   C2c C    21.0568  -14.4688
            5   C8x C    18.6342  -15.8783
            6   C8x C    19.8513  -17.9807
            7   C8x C    22.2741  -17.9691
            8   C8x C    23.4856  -15.8607
            9   C8y C    19.8396  -13.7758
            10  X   Cl   22.2684  -13.7699
            11  C8x C    17.4227  -16.5829
            12  C8x C    18.6399  -18.6739
            13  C8x C    23.4856  -18.6622
            14  C8x C    24.6969  -16.5655
            15  C8x C    18.6342  -14.4688
            16  C8x C    19.8396  -12.3721
            17  C8y C    17.4227  -17.9807
            18  C8y C    24.6969  -17.9633
            19  C8x C    17.4169  -13.7758
            20  C8x C    18.6342  -11.6675
            21  O2a O    16.2171  -18.6796
            22  O2a O    25.9083  -18.6622
            23  C8y C    17.4169  -12.3721
            24  C1a C    14.9998  -17.9807
            25  C1a C    27.1198  -17.9633
            26  O2a O    16.2054  -11.6675
            27  C1a C    14.9941  -12.3721
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 2
            14    9  15 2
            15    9  16 1
            16   11  17 2
            17   13  18 2
            18   15  19 1
            19   16  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   26  27 1
            27   12  17 1
            28   14  18 1
            29   20  23 1

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