Drug Information

Drug General Information
Drug ID
D05KKB
Former ID
DNC004048
Drug Name
Sulfamic acid 3-(4-methoxy-benzoyl)-phenyl ester
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526379]
Structure
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2D MOL

3D MOL
Formula
C14H13NO5S
Canonical SMILES
COC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)N
InChI
1S/C14H13NO5S/c1-19-12-7-5-10(6-8-12)14(16)11-3-2-4-13(9-11)20-21(15,17)18/h2-9H,1H3,(H2,15,17,18)
InChIKey
ARBLJGHHCKHHLN-UHFFFAOYSA-N
PubChem Compound ID
44306687
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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