Drug Information

Drug General Information
Drug ID
D0R0TE
Former ID
DNC005718
Drug Name
3-(6-Ethoxy-naphthalen-2-yl)-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527801]
Structure
Download
2D MOL

3D MOL
Formula
C17H15NO
Canonical SMILES
CCOC1=CC2=C(C=C1)C=C(C=C2)C3=CN=CC=C3
InChI
1S/C17H15NO/c1-2-19-17-8-7-13-10-14(5-6-15(13)11-17)16-4-3-9-18-12-16/h3-12H,2H2,1H3
InChIKey
CQLHDOYGDGBDQA-UHFFFAOYSA-N
PubChem Compound ID
11557864
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [527801]
Cytochrome P450 11B1, mitochondrial Target Info Inhibitor [527801]
17 alpha-hydroxylase-C17, 20-lyase Target Info Inhibitor [527801]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa00140:Steroid hormone biosynthesis
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
Prolactin signaling pathway
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen MetabolismPW000141:SteroidogenesisPW000045:Androgen and Estrogen Metabolism
Steroidogenesis
Reactome Endogenous sterolsR-HSA-194002:Glucocorticoid biosynthesis
Endogenous sterolsR-HSA-193048:Androgen biosynthesis
Glucocorticoid biosynthesis
Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation
Corticotropin-releasing hormoneWP702:Metapathway biotransformation
Steroid Biosynthesis
Glucocorticoid & Mineralcorticoid Metabolism
Prostate Cancer
Phase 1 - Functionalization of compounds
References
Ref 527801J Med Chem. 2005 Oct 20;48(21):6632-42.Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis.
Ref 527801J Med Chem. 2005 Oct 20;48(21):6632-42.Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis.

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