Drug Information
Drug General Information | Top | |||
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Drug ID |
D01AVM
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Former ID |
DNC006166
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Drug Name |
Ethyl estrone-16-methylcarboxylate
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Synonyms |
SCHEMBL12379501
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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 |
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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+/m1/s1
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InChIKey |
SRWMNPAYNHYCEU-LRHWGCDKSA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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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 | |||
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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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