Drug General Information
Drug ID	D0TA0J
Former ID	DNC009340
Drug Name	3,3'-thiene-2,5-diyldiphenol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530450]
Structure		Download 2D MOL 3D MOL
Formula	C16H12O2S
Canonical SMILES	C1=CC(=CC(=C1)O)C2=CC=C(S2)C3=CC(=CC=C3)O
InChI	1S/C16H12O2S/c17-13-5-1-3-11(9-13)15-7-8-16(19-15)12-4-2-6-14(18)10-12/h1-10,17-18H
InChIKey	SVBBCXVMACPXGW-UHFFFAOYSA-N
PubChem Compound ID	25093387
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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