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	[530450]
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	25192475
Target and Pathway
Target(s)	Cytochrome P450 2D6	Target Info	Inhibitor	[530450]
	Estradiol 17 beta-dehydrogenase 1	Target Info	Inhibitor	[530450]
	Cytochrome P450 3A4	Target Info	Inhibitor	[530450]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis I
KEGG Pathway	Metabolism of xenobiotics by cytochrome P450
	Drug metabolism - cytochrome P450
	Serotonergic synapsehsa00140:Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
	Linoleic acid metabolism
	Retinol metabolism
	Drug metabolism - other enzymes
	Bile secretion
	Chemical carcinogenesis
NetPath Pathway	FSH Signaling Pathway
PANTHER Pathway	Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway	Androgen and Estrogen MetabolismPW000015:Caffeine Metabolism
	Retinol Metabolism
Reactome	XenobioticsR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)R-HSA-211981:Xenobiotics
	Aflatoxin activation and detoxification
WikiPathways	Metapathway biotransformation
	Tamoxifen metabolism
	Oxidation by Cytochrome P450
	Vitamin D Receptor Pathway
	Aripiprazole Metabolic Pathway
	Fatty Acid Omega Oxidation
	Codeine and Morphine MetabolismWP496:Steroid Biosynthesis
	Metabolism of steroid hormones and vitamin D
	Prostate CancerWP702:Metapathway biotransformation
	Aflatoxin B1 metabolism
	Estrogen metabolism
	Benzo(a)pyrene metabolism
	Tryptophan metabolism
	Nuclear Receptors in Lipid Metabolism and Toxicity
	Nuclear Receptors Meta-Pathway
	Farnesoid X Receptor Pathway
	Felbamate Metabolism
	Lidocaine metabolism
	Nifedipine Activity
	Colchicine Metabolic Pathway
	Irinotecan Pathway
	Drug Induction of Bile Acid 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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