Drug Information

Drug General Information
Drug ID
D06AYL
Former ID
DNC006170
Drug Name
N-(pyridin-3-ylmethyl) estradiol-16-carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C25H30N2O3
Canonical SMILES
CC12CCC3C(C1CC(C2O)C(=O)NCC4=CN=CC=C4)CCC5=C3C=CC(=C5)O
InChI
1S/C25H30N2O3/c1-25-9-8-19-18-7-5-17(28)11-16(18)4-6-20(19)22(25)12-21(23(25)29)24(30)27-14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-23,28-29H,4,6,8-9,12,14H2,1H3,(H,27,30)/t19?,20?,21?,22?,23-,25-/m0/s1
InChIKey
JLDAJRITWUSQME-GYDLEPMTSA-N
PubChem Compound ID
44407373
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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