| Drug General Information |
| Drug ID |
D0NM0P
|
| Former ID |
DNC009338
|
| Drug Name |
3-[5-(4-Hydroxyphenyl)-3-thienyl]phenol
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C16H12O2S
|
| Canonical SMILES |
C1=CC(=CC(=C1)O)C2=CSC(=C2)C3=CC=C(C=C3)O
|
| InChI |
1S/C16H12O2S/c17-14-6-4-11(5-7-14)16-9-13(10-19-16)12-2-1-3-15(18)8-12/h1-10,17-18H
|
| InChIKey |
JECPEAXUEYTRPA-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]
|
|
BioCyc Pathway
|
Superpathway of steroid hormone biosynthesis
|
|
Estradiol biosynthesis I
|
|
KEGG Pathway
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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 carcinogenesis
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NetPath Pathway
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FSH Signaling Pathway
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PANTHER Pathway
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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
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The canonical retinoid cycle in rods (twilight vision)R-HSA-211981:Xenobiotics
|
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Aflatoxin activation and detoxification
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WikiPathways
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Steroid Biosynthesis
|
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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 Metabolism
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| References |
| REF 1 | J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). |
|---|
