| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| ATC | S01EC03 |
| UNII | 9JDX055TW1 |
| EPA CompTox | DTXSID7022960 |
| InChI Key | IAVUPMFITXYVAF-XPUUQOCRSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H16N2O4S3 |
| Molecular Weight | 324.45 |
| AlogP | 0.61 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 106.33 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Lyase
|
- | 0.18-52 | 0.043 | 0.1995-887 | 2-100 | |
|
Enzyme
|
- | 0.18-52 | 0.043 | 0.1995-887 | 2-100 | |
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 3
Nuclear hormone receptor subfamily 3 group C
Nuclear hormone receptor subfamily 3 group C member 4
|
- | 65 | - | 11 | - |
| Resources | Reference |
|---|---|
| ChEBI | 4702 |
| ChEMBL | CHEMBL218490 |
| DrugBank | DB00869 |
| DrugCentral | 949 |
| FDA SRS | 9JDX055TW1 |
| Human Metabolome Database | HMDB0015007 |
| Guide to Pharmacology | 6810 |
| KEGG | C06969 |
| PDB | ETS |
| PubChem | 5284549 |
| SureChEMBL | SCHEMBL24061 |
| ZINC | ZINC000001530621 |