Drug Information

Drug General Information
Drug ID
D00PUR
Former ID
DNC010815
Drug Name
3'-(1-Benzothien-2-yl)biphenyl-3-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530868]
Structure
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2D MOL

3D MOL
Formula
C20H14OS
Canonical SMILES
C1=CC=C2C(=C1)C=C(S2)C3=CC=CC(=C3)C4=CC(=CC=C4)O
InChI
1S/C20H14OS/c21-18-9-4-7-15(12-18)14-6-3-8-16(11-14)20-13-17-5-1-2-10-19(17)22-20/h1-13,21H
InChIKey
BQKUVAJYBNSSNI-UHFFFAOYSA-N
PubChem Compound ID
46887555
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [530868]
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 530868Bioorg Med Chem. 2010 May 15;18(10):3494-505. Epub 2010 Mar 29.Novel estrone mimetics with high 17beta-HSD1 inhibitory activity.
Ref 530868Bioorg Med Chem. 2010 May 15;18(10):3494-505. Epub 2010 Mar 29.Novel estrone mimetics with high 17beta-HSD1 inhibitory activity.

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