Drug Information

Drug General Information
Drug ID
D0AL2D
Former ID
DNC004045
Drug Name
4-{4-[(aminosulfonyl)oxy]benzoyl}phenyl sulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529570]
Structure
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2D MOL

3D MOL
Formula
C13H12N2O7S2
Canonical SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)OS(=O)(=O)N)OS(=O)(=O)N
InChI
1S/C13H12N2O7S2/c14-23(17,18)21-11-5-1-9(2-6-11)13(16)10-3-7-12(8-4-10)22-24(15,19)20/h1-8H,(H2,14,17,18)(H2,15,19,20)
InChIKey
NKZRLSJYBCVOGN-UHFFFAOYSA-N
PubChem Compound ID
9885795
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [529570]
KEGG Pathway Steroid hormone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Glycosphingolipid metabolism
WikiPathways Estrogen metabolism
Vitamin D Receptor Pathway
Sphingolipid metabolism
References
Ref 529570J Med Chem. 2008 Jul 24;51(14):4226-38. Epub 2008 Jul 1.Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity.
Ref 529570J Med Chem. 2008 Jul 24;51(14):4226-38. Epub 2008 Jul 1.Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity.

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