| Drug General Information |
| Drug ID |
D0Y2RL
|
| Former ID |
DNC010002
|
| Drug Name |
4-[5-(3-Hydroxyphenyl)-2-thienyl)-2-methyl]phenol
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C17H14O2S
|
| Canonical SMILES |
CC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)O)O
|
| InChI |
1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
|
| InChIKey |
ICDRVGLMFQWTDX-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 2D6 |
Target Info |
Inhibitor |
[1]
|
|---|
| 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
|
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KEGG Pathway
|
Metabolism of xenobiotics by cytochrome P450
|
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Drug metabolism - cytochrome P450
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Serotonergic synapsehsa00140:Steroid hormone biosynthesis
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Metabolic pathways
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Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
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Linoleic acid metabolism
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Retinol metabolism
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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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XenobioticsR-HSA-2453902: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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Metapathway biotransformation
|
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Tamoxifen metabolism
|
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Oxidation by Cytochrome P450
|
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Vitamin D Receptor Pathway
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Aripiprazole Metabolic Pathway
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Fatty Acid Omega Oxidation
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Codeine and Morphine MetabolismWP496: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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Tryptophan metabolism
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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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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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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. |
|---|
