Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0C4FT
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| Former ID |
DNC012734
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| Drug Name |
HEXESTROL
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| Synonyms |
hexestrol; Dihydrodiethylstilbestrol; Vitestrol; Hexoestrolum; Exestrol; 5635-50-7; Stilbestrol, dihydro-; 4,4'-(1,2-Diethylethylene)diphenol; 4,4'-(hexane-3,4-diyl)diphenol; Synoestrolum; Hexanestrol; Cycloestrol; Esestrolo [DCIT]; Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-; Hexestrolum [INN-Latin]; Hexane, 3,4-bis(4-hydroxyphenyl)-; EINECS 227-082-2; 3,4-Bis(p-hydroxyphenyl)hexane; Hormoestrol; Syntrogene; Synthovo; Phenol, 4,4'-(1,2-diethylethylene)di-; CHEBI:31669; PBBGSZCBWVPOOL-UHFFFAOYSA-N; Hexestrol [INN]
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| Drug Type |
Small molecular drug
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| Indication | Irregularities [ICD-11: N.A.] | Withdrawn from market | [1], [2], [3] | |
| Structure |
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Download2D MOL |
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| Formula |
C18H22O2
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| Canonical SMILES |
CCC(C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O
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| InChI |
1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
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| InChIKey |
PBBGSZCBWVPOOL-UHFFFAOYSA-N
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| CAS Number |
CAS 5635-50-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
132444, 585165, 4911068, 7848704, 8149594, 8152274, 10321181, 11335618, 11360857, 11363381, 11365943, 11368505, 11371839, 11374082, 11376667, 11461829, 11466727, 11467847, 11484438, 11486514, 11488707, 11490376, 11492207, 11494301, 15021416, 24870032, 24895805, 26611989, 26679915, 26748324, 26748325, 26748326, 29222732, 47515262, 47515263, 47736417, 47959676, 47959677, 47959678, 48035049, 48334431, 49698746, 50005371, 50064915, 50107374, 50107375, 53789301, 56463535, 57321892, 57650765
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| ChEBI ID |
CHEBI:31669
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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): Bacteroidales | ||||
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Studied Microbe: Bacteroides caccae
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides caccae was decreased by Hexestrol (adjusted p-values: 4.23E-04). | |||
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Studied Microbe: Bacteroides fragilis enterotoxigenic
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides fragilis enterotoxigenic was decreased by Hexestrol (adjusted p-values: 5.85E-06). | |||
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Studied Microbe: Bacteroides fragilis nontoxigenic
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides fragilis nontoxigenic was decreased by Hexestrol (adjusted p-values: 3.01E-05). | |||
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Studied Microbe: Bacteroides ovatus
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides ovatus was decreased by Hexestrol (adjusted p-values: 5.04E-06). | |||
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Studied Microbe: Bacteroides thetaiotaomicron
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides thetaiotaomicron was decreased by Hexestrol (adjusted p-values: 5.87E-05). | |||
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Studied Microbe: Bacteroides uniformis
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides uniformis was decreased by Hexestrol (adjusted p-values: 2.18E-03). | |||
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Studied Microbe: Bacteroides vulgatus
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides vulgatus was decreased by Hexestrol (adjusted p-values: 2.64E-03). | |||
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Studied Microbe: Bacteroides xylanisolvens
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bacteroides xylanisolvens was decreased by Hexestrol (adjusted p-values: 3.01E-05). | |||
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Studied Microbe: Odoribacter splanchnicus
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Odoribacter splanchnicus was decreased by Hexestrol (adjusted p-values: 5.04E-06). | |||
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Studied Microbe: Parabacteroides distasonis
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Parabacteroides distasonis was decreased by Hexestrol (adjusted p-values: 5.94E-07). | |||
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Studied Microbe: Parabacteroides merdae
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Parabacteroides merdae was decreased by Hexestrol (adjusted p-values: 5.04E-06). | |||
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Studied Microbe: Prevotella copri
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Prevotella copri was decreased by Hexestrol (adjusted p-values: 2.87E-03). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bifidobacteriales | ||||
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Studied Microbe: Bifidobacterium adolescentis
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Bifidobacterium adolescentis was decreased by Hexestrol (adjusted p-values: 7.30E-03). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
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Studied Microbe: Blautia obeum
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Blautia obeum was decreased by Hexestrol (adjusted p-values: 6.35E-05). | |||
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Studied Microbe: Clostridium perfringens
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Clostridium perfringens was decreased by Hexestrol (adjusted p-values: 1.73E-03). | |||
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Studied Microbe: Lacrimispora saccharolytica
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Lacrimispora saccharolytica was decreased by Hexestrol (adjusted p-values: 1.30E-04). | |||
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Studied Microbe: Roseburia intestinalis
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[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Roseburia intestinalis was decreased by Hexestrol (adjusted p-values: 3.19E-03). | |||
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Studied Microbe: Ruminococcus gnavus
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|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Ruminococcus gnavus was decreased by Hexestrol (adjusted p-values: 9.59E-03). | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lactobacillales | ||||
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Studied Microbe: Streptococcus salivarius
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Abundance Change | Decrease | |||
| Experiment Method | High-throughput screening | |||
| Description | The abundance of Streptococcus salivarius was decreased by Hexestrol (adjusted p-values: 1.03E-03). | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2823). | |||
| REF 2 | Carcinogenicity and metabolic activation of hexestrol. Chem Biol Interact. 1985 Oct;55(1-2):157-76. | |||
| REF 3 | Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70. | |||
| REF 4 | Extensive impact of non-antibiotic drugs on human gut bacteria. Nature. 2018 Mar 29;555(7698):623-628. | |||
| REF 5 | Bone targeted drugs 2. synthesis of estrogens with hydroxyapatite affinity, Bioorg. Med. Chem. Lett. 6(9):1047-1050 (1996). | |||
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