Drug Information

Drug General Information
Drug ID
D0W6GB
Former ID
DNC000298
Drug Name
Benzomate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535953]
Structure
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2D MOL

3D MOL
Formula
C18H18ClNO5
Canonical SMILES
CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2
InChI
1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3
InChIKey
HOERQTQCTISLFR-UHFFFAOYSA-N
CAS Number
CAS 29104-30-1
PubChem Compound ID
34475
PubChem Substance ID
34676120, 49885377, 57311688, 80821165, 104318675, 124489693, 134339762, 134996307, 198990859, 235171395, 241118046
ChEBI ID
ChEBI:38813
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [535953]
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 535953Synthesis, in vitro and in vivo activity of benzophenone-based inhibitors of steroid sulfatase. Bioorg Med Chem. 2004 May 15;12(10):2759-72.
Ref 535953Synthesis, in vitro and in vivo activity of benzophenone-based inhibitors of steroid sulfatase. Bioorg Med Chem. 2004 May 15;12(10):2759-72.

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