Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U7DJ
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| Former ID |
DNC006178
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| Drug Name |
16-(4-cyano-benzylidene)-estradiol
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| Synonyms |
SCHEMBL12379740
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C26H27NO2
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| Canonical SMILES |
CC12CCC3C(C1CC(=CC4=CC=C(C=C4)C#N)C2O)CCC5=C3C=CC(=C5)O
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| InChI |
1S/C26H27NO2/c1-26-11-10-22-21-9-7-20(28)13-18(21)6-8-23(22)24(26)14-19(25(26)29)12-16-2-4-17(15-27)5-3-16/h2-5,7,9,12-13,22-25,28-29H,6,8,10-11,14H2,1H3/b19-12+/t22?,23?,24?,25-,26-/m0/s1
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| InChIKey |
RMEMBAHSFFEOKG-HNTYVEMZSA-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 | Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. J Med Chem. 2006 Feb 23;49(4):1325-45. | |||
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