Drug General Information
Drug ID
D0C5ZP
Former ID
DNC007164
Drug Name
N-(2-benzyloxy-4-nitrophenyl)methanesulfonamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528691]
Structure
Download
2D MOL

3D MOL

Formula
C14H14N2O5S
Canonical SMILES
CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2
InChI
1S/C14H14N2O5S/c1-22(19,20)15-13-8-7-12(16(17)18)9-14(13)21-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3
InChIKey
XDQFGDRBMTXPFY-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [528691]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
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 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 compounds
References
Ref 528691J Med Chem. 2007 Apr 5;50(7):1635-44. Epub 2007 Feb 22.Synthesis and biological evaluation of selective aromatase expression regulators in breast cancer cells.
Ref 528691J Med Chem. 2007 Apr 5;50(7):1635-44. Epub 2007 Feb 22.Synthesis and biological evaluation of selective aromatase expression regulators in breast cancer cells.

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