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	25192477
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 530450	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.
Ref 530450	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.

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