Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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 [ICD-11: N.A.] | 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 | 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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