| Drug General Information |
| Drug ID |
D0M0KX
|
| Former ID |
DNC010004
|
| Drug Name |
2-Fluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C16H11FO2S
|
| Canonical SMILES |
C1=CC(=CC(=C1)O)C2=CC=C(S2)C3=CC(=C(C=C3)O)F
|
| InChI |
1S/C16H11FO2S/c17-13-9-11(4-5-14(13)19)16-7-6-15(20-16)10-2-1-3-12(18)8-10/h1-9,18-19H
|
| InChIKey |
NRSWHXCLBQLBRC-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Estradiol 17 beta-dehydrogenase 1 |
Target Info |
Inhibitor |
[1]
|
|---|
| Cytochrome P450 3A4 |
Target Info |
Inhibitor |
[1]
|
| Cytochrome P450 2D6 |
Target Info |
Inhibitor |
[1]
|
|
BioCyc Pathway
|
Superpathway of steroid hormone biosynthesis
|
|
Estradiol biosynthesis I
|
|
KEGG Pathway
|
Steroid hormone biosynthesis
|
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Metabolic pathways
|
|
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
|
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Linoleic acid metabolism
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Retinol metabolism
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Metabolism of xenobiotics by cytochrome P450
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Drug metabolism - cytochrome P450
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Drug metabolism - other enzymes
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Bile secretion
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Chemical carcinogenesishsa00980:Metabolism of xenobiotics by cytochrome P450
|
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Serotonergic synapse
|
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NetPath Pathway
|
FSH Signaling Pathway
|
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PANTHER Pathway
|
Androgen/estrogene/progesterone biosynthesis
|
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PathWhiz Pathway
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Androgen and Estrogen MetabolismPW000015:Caffeine Metabolism
|
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Retinol Metabolism
|
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Reactome
|
The canonical retinoid cycle in rods (twilight vision)R-HSA-211981:Xenobiotics
|
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Aflatoxin activation and detoxificationR-HSA-211981:Xenobiotics
|
|
WikiPathways
|
Steroid Biosynthesis
|
|
Metabolism of steroid hormones and vitamin D
|
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Prostate CancerWP702:Metapathway biotransformation
|
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Aflatoxin B1 metabolism
|
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Estrogen metabolism
|
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Benzo(a)pyrene metabolism
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Tamoxifen metabolism
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Tryptophan metabolism
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Oxidation by Cytochrome P450
|
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Nuclear Receptors in Lipid Metabolism and Toxicity
|
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Nuclear Receptors Meta-Pathway
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Farnesoid X Receptor Pathway
|
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Vitamin D Receptor Pathway
|
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Felbamate Metabolism
|
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Lidocaine metabolism
|
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Nifedipine Activity
|
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Colchicine Metabolic Pathway
|
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Irinotecan Pathway
|
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Drug Induction of Bile Acid Pathway
|
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Fatty Acid Omega Oxidation
|
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Codeine and Morphine MetabolismWP702:Metapathway biotransformation
|
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Aripiprazole Metabolic Pathway
|
|
Codeine and Morphine Metabolism
|
| References |
| REF 1 | J Med Chem. 2009 Nov 12;52(21):6724-43.New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity. |
|---|
