Drug Information

Drug General Information
Drug ID
D02BEJ
Former ID
DNC009988
Drug Name
3-[5-(3,4-Difluorophenyl)-2-thienyl]phenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530450]
Formula
C16H10F2OS
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CC=C(S2)C3=CC(=C(C=C3)F)F
InChI
1S/C16H10F2OS/c17-13-5-4-11(9-14(13)18)16-7-6-15(20-16)10-2-1-3-12(19)8-10/h1-9,19H
InChIKey
PKUPEZBIFLWEBN-UHFFFAOYSA-N
PubChem Compound ID
44542795
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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