Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y9SI
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| Former ID |
DNC007538
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| Drug Name |
3-(4-hexylthiosemicarbazono)methyl-benzoic acid
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| Synonyms |
CHEMBL228317; 3-(4-hexylthiosemicarbazono)methyl-benzoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H21N3O2S
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| Canonical SMILES |
CCCCCCNC(=S)NN=CC1=CC(=CC=C1)C(=O)O
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| 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+
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| InChIKey |
WAIVPXALQIYLJU-GZTJUZNOSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Steryl-sulfatase (STS) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Glycosphingolipid metabolism | |||
| WikiPathways | Estrogen metabolism | |||
| Vitamin D Receptor Pathway | ||||
| Sphingolipid metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase. J Med Chem. 2007 Jul 26;50(15):3661-6. | |||
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