Drug Information

Drug General Information
Drug ID
D08EHR
Former ID
DNC006184
Drug Name
16-(pyridin-3-yl)methylene-estradiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C24H27NO2
Canonical SMILES
CC12CCC3C(C1CC(=CC4=CN=CC=C4)C2O)CCC5=C3C=CC(=C5)O
InChI
1S/C24H27NO2/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/h2-3,5,7,10-12,14,20-23,26-27H,4,6,8-9,13H2,1H3/b17-11+/t20?,21?,22?,23-,24-/m0/s1
InChIKey
FCVLVYMOBDNAMK-PLNMCULSSA-N
PubChem Compound ID
44407494
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [528033]
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 528033J 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.
Ref 528033J 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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