Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0N1LT
|
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| Former ID |
DNC006177
|
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| Drug Name |
16-(pyridin-3-yl)methyl-estradiol
|
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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 |
||
| Formula |
C24H29NO2
|
|||
| Canonical SMILES |
CC12CCC3C(C1CC(C2O)CC4=CN=CC=C4)CCC5=C3C=CC(=C5)O
|
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| InChI |
1S/C24H29NO2/c1-24-9-8-20-19-7-5-18(26)12-16(19)4-6-21(20)22(24)13-17(23(24)27)11-15-3-2-10-25-14-15/h2-3,5,7,10,12,14,17,20-23,26-27H,4,6,8-9,11,13H2,1H3/t17-,20?,21?,22?,23-,24-/m0/s1
|
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| InChIKey |
QLYAKILKANOLBC-ZCTINNFXSA-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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