Drug Information

Drug General Information
Drug ID
D09BUM
Former ID
DNC007539
Drug Name
4-(4-cyclohexylthiosemicarbazono)methyl-phenol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528905]
Structure
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2D MOL

3D MOL
Formula
C14H19N3OS
Canonical SMILES
C1CCC(CC1)NC(=S)NNC=C2C=CC(=O)C=C2
InChI
1S/C14H19N3OS/c18-13-8-6-11(7-9-13)10-15-17-14(19)16-12-4-2-1-3-5-12/h6-10,12,15H,1-5H2,(H2,16,17,19)
InChIKey
WTZFUYMKAQFXGP-UHFFFAOYSA-N
PubChem Compound ID
6185010
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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