Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S2BW
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| Former ID |
DNC006174
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| Drug Name |
Methyl estradiol-16-beta-carboxylate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H26O4
|
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| Canonical SMILES |
CC12CCC3C(C1CC(C2O)C(=O)OC)CCC4=C3C=CC(=C4)O
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| InChI |
1S/C20H26O4/c1-20-8-7-14-13-6-4-12(21)9-11(13)3-5-15(14)17(20)10-16(18(20)22)19(23)24-2/h4,6,9,14-18,21-22H,3,5,7-8,10H2,1-2H3/t14?,15?,16-,17?,18-,20-/m0/s1
|
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| InChIKey |
ATXQVYDXJMHPHM-ASCAHHBESA-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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