Drug Information

Drug General Information
Drug ID
D06IMK
Former ID
DNC007540
Drug Name
3-(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)NN=CC2=CC(=CC=C2)O
InChI
1S/C14H19N3OS/c18-13-8-4-5-11(9-13)10-15-17-14(19)16-12-6-2-1-3-7-12/h4-5,8-10,12,18H,1-3,6-7H2,(H2,16,17,19)/b15-10+
InChIKey
GVMJJZTZCKCYTK-XNTDXEJSSA-N
PubChem Compound ID
9729029
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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