Drug Information

Drug General Information
Drug ID
D0I4LL
Former ID
DNC010525
Drug Name
2',4'-dicyanobiphenyl-4-yl sulfamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530712]
Structure
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2D MOL

3D MOL
Formula
C14H9N3O3S
Canonical SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)C#N)C#N)OS(=O)(=O)N
InChI
1S/C14H9N3O3S/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(5-3-11)20-21(17,18)19/h1-7H,(H2,17,18,19)
InChIKey
VQTYXLRQENRZOV-UHFFFAOYSA-N
PubChem Compound ID
9861093
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [530712]
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 530712J Med Chem. 2010 Mar 11;53(5):2155-70.Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template.
Ref 530712J Med Chem. 2010 Mar 11;53(5):2155-70.Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template.

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