Drug Information

Drug General Information
Drug ID
D0Y9SI
Former ID
DNC007538
Drug Name
3-(4-hexylthiosemicarbazono)methyl-benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528905]
Structure
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2D MOL

3D MOL
Formula
C15H21N3O2S
Canonical SMILES
CCCCCCNC(=S)NN=CC1=CC(=CC=C1)C(=O)O
InChI
1S/C15H21N3O2S/c1-2-3-4-5-9-16-15(21)18-17-11-12-7-6-8-13(10-12)14(19)20/h6-8,10-11H,2-5,9H2,1H3,(H,19,20)(H2,16,18,21)/b17-11+
InChIKey
WAIVPXALQIYLJU-GZTJUZNOSA-N
PubChem Compound ID
16748617
Target and Pathway
Target(s) Steryl-sulfatase Target Info Inhibitor [528905]
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 528905J Med Chem. 2007 Jul 26;50(15):3661-6. Epub 2007 Jun 20.Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase.
Ref 528905J Med Chem. 2007 Jul 26;50(15):3661-6. Epub 2007 Jun 20.Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase.

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