Drug Information

Drug General Information
Drug ID
D01ERB
Former ID
DNC006182
Drug Name
16-(pyridin-4-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=CC=NC=C4)C2O)CCC5=C3C=CC(=C5)O
InChI
1S/C24H27NO2/c1-24-9-6-20-19-5-3-18(26)13-16(19)2-4-21(20)22(24)14-17(23(24)27)12-15-7-10-25-11-8-15/h3,5,7-8,10-13,20-23,26-27H,2,4,6,9,14H2,1H3/b17-12+/t20?,21?,22?,23-,24-/m0/s1
InChIKey
SOWVSBMETYFGLF-PHKWELIGSA-N
PubChem Compound ID
44407490
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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