Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P6JE
|
|||
| Former ID |
DNC009991
|
|||
| Drug Name |
3,3'-(3-Methylthiene-2,5-diyl]diphenol
|
|||
| Synonyms |
CHEMBL572171; BDBM50299646
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| 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 | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1) | Target Info | Inhibitor | [1] |
| BioCyc | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.