Drug Information

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]
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 529748J 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 529748J 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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