Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0M4SL
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| Former ID |
DNC006164
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| Drug Name |
N-isopropyl estrone-16-methyl carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C23H31NO3
|
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| Canonical SMILES |
CC(C)NC(=O)CC1CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)O
|
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| InChI |
1S/C23H31NO3/c1-13(2)24-21(26)12-15-11-20-19-6-4-14-10-16(25)5-7-17(14)18(19)8-9-23(20,3)22(15)27/h5,7,10,13,15,18-20,25H,4,6,8-9,11-12H2,1-3H3,(H,24,26)/t15?,18?,19?,20?,23-/m0/s1
|
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| InChIKey |
OHQDRZHZEKGJSZ-OOGUNDJRSA-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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