Drug Information

Drug General Information
Drug ID
D04YVS
Former ID
DNC004049
Drug Name
3-{4-[(aminosulfonyl)oxy]benzoyl}phenyl sulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526379]
Structure
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2D MOL

3D MOL
Formula
C13H12N2O7S2
Canonical SMILES
C1=CC(=CC(=C1)OS(=O)(=O)N)C(=O)C2=CC=C(C=C2)OS(=O)(=O)N
InChI
1S/C13H12N2O7S2/c14-23(17,18)21-11-6-4-9(5-7-11)13(16)10-2-1-3-12(8-10)22-24(15,19)20/h1-8H,(H2,14,17,18)(H2,15,19,20)
InChIKey
NEMACRXQAFHGPF-UHFFFAOYSA-N
PubChem Compound ID
44306753
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [526379]
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 526379Bioorg Med Chem Lett. 2002 Aug 19;12(16):2093-5.4,4'-Benzophenone-O,O'-disulfamate: a potent inhibitor of steroid sulfatase.
Ref 526379Bioorg Med Chem Lett. 2002 Aug 19;12(16):2093-5.4,4'-Benzophenone-O,O'-disulfamate: a potent inhibitor of steroid sulfatase.

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