Drug Information

Drug General Information
Drug ID
D0TA0J
Former ID
DNC009340
Drug Name
3,3'-thiene-2,5-diyldiphenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530450]
Formula
C16H12O2S
Canonical SMILES
C1=CC(=CC(=C1)O)C2=CC=C(S2)C3=CC(=CC=C3)O
InChI
1S/C16H12O2S/c17-13-5-1-3-11(9-13)15-7-8-16(19-15)12-4-2-6-14(18)10-12/h1-10,17-18H
InChIKey
SVBBCXVMACPXGW-UHFFFAOYSA-N
PubChem Compound ID
25093387
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.