Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02DYZ
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| Former ID |
DNC006168
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| Drug Name |
N-(pyridin-4-ylmethyl) estradiol-16-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C25H30N2O3
|
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| Canonical SMILES |
CC12CCC3C(C1CC(C2O)C(=O)NCC4=CC=NC=C4)CCC5=C3C=CC(=C5)O
|
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| InChI |
1S/C25H30N2O3/c1-25-9-6-19-18-5-3-17(28)12-16(18)2-4-20(19)22(25)13-21(23(25)29)24(30)27-14-15-7-10-26-11-8-15/h3,5,7-8,10-12,19-23,28-29H,2,4,6,9,13-14H2,1H3,(H,27,30)/t19?,20?,21?,22?,23-,25-/m0/s1
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| InChIKey |
PHCMYYPTUPNLMJ-GYDLEPMTSA-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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