Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| 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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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| 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 | |||||
| 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. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. | ||||
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