Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0B6SF
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| Former ID |
DNC009993
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| Drug Name |
3,3'-(3-Phenylthiene-2,5-diyl)diphenol
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| Synonyms |
CHEMBL569885; BDBM50299649
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H16O2S
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| Canonical SMILES |
C1=CC=C(C=C1)C2=C(SC(=C2)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O
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| InChI |
1S/C22H16O2S/c23-18-10-4-8-16(12-18)21-14-20(15-6-2-1-3-7-15)22(25-21)17-9-5-11-19(24)13-17/h1-14,23-24H
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| InChIKey |
ZQUCGOXYEIRCOX-UHFFFAOYSA-N
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| 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. | |||
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