Drug General Information
Drug ID	D08OQX
Former ID	DNC009342
Drug Name	3,3'-Thiene-2,4-diyldiphenol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529748]
Structure		Download 2D MOL 3D MOL
Formula	C16H12O2S
Canonical SMILES	C1=CC(=CC(=C1)O)C2=CC(=CS2)C3=CC(=CC=C3)O
InChI	1S/C16H12O2S/c17-14-5-1-3-11(7-14)13-9-16(19-10-13)12-4-2-6-15(18)8-12/h1-10,17-18H
InChIKey	FIVXNZZSAFLVFQ-UHFFFAOYSA-N
PubChem Compound ID	25093392
Target and Pathway
Target(s)	Estradiol 17 beta-dehydrogenase 1	Target Info	Inhibitor	[529748]
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 529748	J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).
Ref 529748	J Med Chem. 2008 Nov 13;51(21):6725-39. Epub 2008 Oct 15.Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).

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