Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0A0CG
|
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| Former ID |
DNC006185
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| Drug Name |
16-(thiophen-2-yl)methylene-estrone
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C23H24O2S
|
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| Canonical SMILES |
CC12CCC3C(C1CC(=CC4=CC=CS4)C2=O)CCC5=C3C=CC(=C5)O
|
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| InChI |
1S/C23H24O2S/c1-23-9-8-19-18-7-5-16(24)11-14(18)4-6-20(19)21(23)13-15(22(23)25)12-17-3-2-10-26-17/h2-3,5,7,10-12,19-21,24H,4,6,8-9,13H2,1H3/b15-12+/t19?,20?,21?,23-/m0/s1
|
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| InChIKey |
NTDFYDJSLAOTRY-LUYQZUMISA-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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