Drug Information

Drug General Information
Drug ID
D08BTV
Former ID
DNC007541
Drug Name
2-(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=CC2=O
InChI
1S/C14H19N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,15H,1-3,7-8H2,(H2,16,17,19)/b11-10+
InChIKey
DKGPJESYPWKVCU-ZHACJKMWSA-N
PubChem Compound ID
6097170
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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