Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01AVM
|
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| Former ID |
DNC006166
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| Drug Name |
Ethyl estrone-16-methylcarboxylate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C22H28O4
|
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| Canonical SMILES |
CCOC(=O)CC1CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)O
|
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| InChI |
1S/C22H28O4/c1-3-26-20(24)12-14-11-19-18-6-4-13-10-15(23)5-7-16(13)17(18)8-9-22(19,2)21(14)25/h5,7,10,14,17-19,23H,3-4,6,8-9,11-12H2,1-2H3/t14?,17?,18?,19?,22-/m0/s1
|
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| InChIKey |
SRWMNPAYNHYCEU-SSBKPBJFSA-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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