Drug Information

Drug General Information
Drug ID
D0S5BA
Former ID
DNC004030
Drug Name
Sulfamic acid 3-(4-hydroxy-benzoyl)-phenyl ester
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526379]
Structure
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2D MOL

3D MOL
Formula
C13H11NO5S
Canonical SMILES
C1=CC(=CC(=C1)OS(=O)(=O)N)C(=O)C2=CC=C(C=C2)O
InChI
1S/C13H11NO5S/c14-20(17,18)19-12-3-1-2-10(8-12)13(16)9-4-6-11(15)7-5-9/h1-8,15H,(H2,14,17,18)
InChIKey
VGINQGIMAOLOBO-UHFFFAOYSA-N
PubChem Compound ID
44306775
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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