Drug Information

Drug General Information
Drug ID
D00AON
Former ID
DNC004429
Drug Name
Sulfamic acid 2-nonyl-4-oxo-4H-chromen-6-yl ester
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526867]
Structure
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2D MOL

3D MOL
Formula
C18H25NO5S
Canonical SMILES
CCCCCCCCCC1=CC(=O)C2=C(O1)C=CC(=C2)OS(=O)(=O)N
InChI
1S/C18H25NO5S/c1-2-3-4-5-6-7-8-9-14-13-17(20)16-12-15(24-25(19,21)22)10-11-18(16)23-14/h10-13H,2-9H2,1H3,(H2,19,21,22)
InChIKey
ATSLCAISNROVSQ-UHFFFAOYSA-N
PubChem Compound ID
9864028
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [526867]
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 526867J Med Chem. 2003 Nov 6;46(23):5091-4.Estrogenic potential of 2-alkyl-4-(thio)chromenone 6-O-sulfamates: potent inhibitors of human steroid sulfatase.
Ref 526867J Med Chem. 2003 Nov 6;46(23):5091-4.Estrogenic potential of 2-alkyl-4-(thio)chromenone 6-O-sulfamates: potent inhibitors of human steroid sulfatase.

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