Drug Information

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]
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 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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