Drug General Information
Drug ID
D0E3IK
Former ID
DNC006210
Drug Name
N-(2-Propyloxy-4-nitrophenyl)methanesulfonamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528035]
Structure
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2D MOL

3D MOL

Formula
C10H14N2O5S
Canonical SMILES
CCCOC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C
InChI
1S/C10H14N2O5S/c1-3-6-17-10-7-8(12(13)14)4-5-9(10)11-18(2,15)16/h4-5,7,11H,3,6H2,1-2H3
InChIKey
GUPXOWXEFMIHHE-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [528035]
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 528035J Med Chem. 2006 Feb 23;49(4):1413-9.Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition.
Ref 528035J Med Chem. 2006 Feb 23;49(4):1413-9.Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition.

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