Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0I5YT
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| Former ID |
DNC009336
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| Drug Name |
3,4'-(thiophene-2,4-diyl)diphenol
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| Synonyms |
SCHEMBL1180505; CHEMBL505523; BDBM25855; VPHQUMICJYAMAM-UHFFFAOYSA-N; ZINC40835480; 3,4'-(2,4-Thiophenediyl)bisphenol; hydroxyphenyl substituted thiophene, 27; 3-[4-(4-Hydroxyphenyl)-2-thienyl]phenol
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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 |
C16H12O2S
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| Canonical SMILES |
C1=CC(=CC(=C1)O)C2=CC(=CS2)C3=CC=C(C=C3)O
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| InChI |
1S/C16H12O2S/c17-14-6-4-11(5-7-14)13-9-16(19-10-13)12-2-1-3-15(18)8-12/h1-10,17-18H
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| InChIKey |
VPHQUMICJYAMAM-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 | |||
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| 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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