Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04CQM
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| Former ID |
DNC006169
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| Drug Name |
N-(1'-Phenyl-ethyl) estradiol-16-carboxamide
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| Synonyms |
SCHEMBL12379495
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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 |
C27H33NO3
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| Canonical SMILES |
CC(C1=CC=CC=C1)NC(=O)C2CC3C4CCC5=C(C4CCC3(C2O)C)C=CC(=C5)O
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| InChI |
1S/C27H33NO3/c1-16(17-6-4-3-5-7-17)28-26(31)23-15-24-22-10-8-18-14-19(29)9-11-20(18)21(22)12-13-27(24,2)25(23)30/h3-7,9,11,14,16,21-25,29-30H,8,10,12-13,15H2,1-2H3,(H,28,31)/t16?,21?,22?,23?,24?,25-,27-/m0/s1
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| InChIKey |
NLFQZGZNWSXJNG-CDPVEVCASA-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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