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 | [1] | ||
| Structure |
|
Download2D MOL |
|||
| 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 | |||||
| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [1] | |
| 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 1 | J 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. Zhou and Dr. Zhang.