Drug General Information
Drug ID	D02BEJ
Former ID	DNC009988
Drug Name	3-[5-(3,4-Difluorophenyl)-2-thienyl]phenol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530450]
Structure		Download 2D MOL 3D MOL
Formula	C16H10F2OS
Canonical SMILES	C1=CC(=CC(=C1)O)C2=CC=C(S2)C3=CC(=C(C=C3)F)F
InChI	1S/C16H10F2OS/c17-13-5-4-11(9-14(13)18)16-7-6-15(20-16)10-2-1-3-12(19)8-10/h1-9,19H
InChIKey	PKUPEZBIFLWEBN-UHFFFAOYSA-N
PubChem Compound ID	44542795
Target and Pathway
Target(s)	Estradiol 17 beta-dehydrogenase 1	Target Info	Inhibitor	[530450]
BioCyc Pathway	Superpathway of steroid hormone biosynthesis
	Estradiol biosynthesis I
KEGG Pathway	Steroid hormone biosynthesis
	Metabolic pathways
	Ovarian steroidogenesis
NetPath Pathway	FSH Signaling Pathway
PANTHER Pathway	Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway	Androgen and Estrogen Metabolism
Reactome	The canonical retinoid cycle in rods (twilight vision)
WikiPathways	Steroid Biosynthesis
	Metabolism of steroid hormones and vitamin D
	Prostate Cancer
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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