Drug Information

Drug General Information
Drug ID
D03XJE
Former ID
DNC005086
Drug Name
2-Adamantan-2-ylidenemethyl-benzooxazol-6-ol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527199]
Structure
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2D MOL

3D MOL
Formula
C18H19NO2
Canonical SMILES
C1C2CC3CC1CC(C2)C3=CC4=NC5=C(O4)C=C(C=C5)O
InChI
1S/C18H19NO2/c20-14-1-2-16-17(8-14)21-18(19-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13,20H,3-7H2
InChIKey
CEAARYLECHJRSD-UHFFFAOYSA-N
PubChem Compound ID
22733402
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [527199]
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 527199Bioorg Med Chem Lett. 2004 Oct 4;14(19):4999-5002.Estrone formate: a novel type of irreversible inhibitor of human steroid sulfatase.
Ref 527199Bioorg Med Chem Lett. 2004 Oct 4;14(19):4999-5002.Estrone formate: a novel type of irreversible inhibitor of human steroid sulfatase.

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