Drug General Information
Drug ID
D03XHF
Former ID
DNC009998
Drug Name
2-Fluoro-5-[5-(4-hydroxyphenyl)-2-thienyl]phenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530450]
Structure
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2D MOL

3D MOL

Formula
C16H11FO2S
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(S2)C3=CC(=C(C=C3)F)O)O
InChI
1S/C16H11FO2S/c17-13-6-3-11(9-14(13)19)16-8-7-15(20-16)10-1-4-12(18)5-2-10/h1-9,18-19H
InChIKey
QFKIHVDWWIPQTB-UHFFFAOYSA-N
PubChem Compound ID
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 530450J 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 530450J 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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