Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X0KJ
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| Former ID |
DAP001012
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| Drug Name |
Chlorotrianisene
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| Synonyms |
Anisene; Chloortrianisestrol; Chlorestrolo; Chlorotrianisenum; Chlorotrianisestrol; Chlorotrianisine; Chlorotrianizen; Chlorotrisin; Chlortrianisen; Chlortrianisene; Chlortrianisenum; Chlortrianisestrol; Chlortrianisoestrolum; Chlortrianizen; Clorestrolo; Clorotrianisene; Clorotrianiseno; Clorotrisin; Hormonisene; Khlortrianizen; Merbentul; Metace; Rianil; TACE; Triagen; Trianisestrol; Chlorotrianisene [Nonsteroidal oestrogens]; Clorotrianisene [DCIT]; Chlorotrianisene (INN); Chlorotrianisene [BAN:INN]; Chlorotrianisene [INN:BAN]; Chlorotrianisenum [INN-Latin]; Clorotrianiseno [INN-Spanish]; TACE (TN); Tace (pharmaceutical); Tace-fn; Chlorotris(p-methoxyphenyl)ethylene; Tri-p-anisylchloroethylene; Tris(p-methoxyphenyl)chloroethylene; 1,1',1''-(1-Chloro-1-ethenyl-2-ylidene)-tris(4-methoxybenzene); 1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene); 1,1',1''-(2-chloroethene-1,1,2-triyl)tris[4-(methyloxy)benzene]; 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
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| Drug Type |
Small molecular drug
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| Indication | Menopause symptom [ICD-11: GA30.0] | Withdrawn from market | [1] | |
| Therapeutic Class |
Anticancer Agents
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| Structure |
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Download2D MOL |
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| Formula |
C23H21ClO3
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| Canonical SMILES |
COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC
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| InChI |
1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
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| InChIKey |
BFPSDSIWYFKGBC-UHFFFAOYSA-N
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| CAS Number |
CAS 569-57-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
75427, 6158977, 7847335, 8158254, 10321124, 10527720, 11112416, 11363010, 11365572, 11368134, 11371325, 11374706, 11376296, 11466785, 11467905, 11484623, 11486449, 11488520, 11490159, 11492769, 11493950, 11532856, 15004147, 17389725, 24892934, 26611654, 26680500, 26747338, 26747339, 29279612, 46508811, 47720595, 47795024, 47795025, 47943742, 48243340, 48318391, 48414489, 48423132, 48424961, 49698685, 49854445, 56394867, 57326824, 68530519, 74567603, 85148661, 92124141, 92125740, 92307250
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| ChEBI ID |
CHEBI:3641
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| SuperDrug ATC ID |
G03CA06
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| SuperDrug CAS ID |
cas=000569573
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Abundace of Studied Microbe(s) Regulated by Drug | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bifidobacteriales | ||||
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Studied Microbe: Bifidobacterium longum
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bifidobacterium longum was decreased by Chlorotrianisene (adjusted p-values: 3.98E-03). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Coriobacteriales | ||||
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Studied Microbe: Collinsella aerofaciens
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Collinsella aerofaciens was decreased by Chlorotrianisene (adjusted p-values: 1.50E-04). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Blautia obeum
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Blautia obeum was decreased by Chlorotrianisene (adjusted p-values: 4.93E-03). | |||
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Studied Microbe: Dorea formicigenerans
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Dorea formicigenerans was decreased by Chlorotrianisene (adjusted p-values: 8.71E-03). | |||
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Studied Microbe: Ruminococcus bromii
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus bromii was decreased by Chlorotrianisene (adjusted p-values: 2.43E-03). | |||
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Studied Microbe: Ruminococcus torques
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[2] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus torques was decreased by Chlorotrianisene (adjusted p-values: 1.28E-03). | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | FDA Approved Drug Products from FDA Official Website. 2008. Application Number: (ANDA) 017675. | |||
| REF 2 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 3 | Inactivation of the uterine estrogen receptor binding of estradiol during P-450 catalyzed metabolism of chlorotrianisene (TACE). Speculation that TACE antiestrogenic activity involves covalent binding to the estrogen receptor. FEBS Lett. 1990 Feb 12;261(1):59-62. | |||
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