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 [530450]
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 [530450]
Cytochrome P450 3A4 Target Info Inhibitor [530450]
Cytochrome P450 2D6 Target Info Inhibitor [530450]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Drug metabolism - other enzymes
Bile secretion
Chemical carcinogenesishsa00980:Metabolism of xenobiotics by cytochrome P450
Serotonergic synapse
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000015:Caffeine Metabolism
Retinol Metabolism
Reactome The canonical retinoid cycle in rods (twilight vision)R-HSA-211981:Xenobiotics
Aflatoxin activation and detoxificationR-HSA-211981:Xenobiotics
WikiPathways Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate CancerWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP702:Metapathway biotransformation
Aripiprazole Metabolic Pathway
Codeine and Morphine Metabolism
References
Ref 530450J 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.
Ref 530450J 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.

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