Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Z1MJ
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| Former ID |
DNC009996
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| Drug Name |
3,3',3''-Thiene-2,3,5-triyltriphenol
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C22H16O3S
|
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| Canonical SMILES |
C1=CC(=CC(=C1)O)C2=CC(=C(S2)C3=CC(=CC=C3)O)C4=CC(=CC=C4<br />)O
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| InChI |
1S/C22H16O3S/c23-17-7-1-4-14(10-17)20-13-21(15-5-2-8-18(24)11-15)26-22(20)16-6-3-9-19(25)12-16/h1-13,23-25H
|
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| InChIKey |
ZBWIOPSLXQDYEV-UHFFFAOYSA-N
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| 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. | ||||
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