Drug General Information
Drug ID	D0P6JE
Former ID	DNC009991
Drug Name	3,3'-(3-Methylthiene-2,5-diyl]diphenol
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[530450]
Structure		Download 2D MOL 3D MOL
Formula	C17H14O2S
Canonical SMILES	CC1=C(SC(=C1)C2=CC(=CC=C2)O)C3=CC(=CC=C3)O
InChI	1S/C17H14O2S/c1-11-8-16(12-4-2-6-14(18)9-12)20-17(11)13-5-3-7-15(19)10-13/h2-10,18-19H,1H3
InChIKey	LRHCSXOEZSEMIF-UHFFFAOYSA-N
PubChem Compound ID	44543261
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.