Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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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| Synonyms |
SCHEMBL12379498
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| 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 | 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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