| Status: | Approved (1986) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 6GK82EC25D |
Structure
| InChI Key | YBBJKCMMCRQZMA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H5NOS |
| Molecular Weight | 127.17 |
| AlogP | 1.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 25.16 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 8.11 | |
|
Enzyme
Lyase
|
- | - | - | 510000 | - | |
|
Enzyme
Oxidoreductase
|
- | 12000 | - | - | 70 | |
|
Enzyme
Protease
Metallo protease
Metallo protease MAE clan
Metallo protease M34 family
|
- | 5000000 | - | - | 23 | |
|
Enzyme
Protease
Metallo protease
Metallo protease MAM clan
Metallo protease M10A subfamily
|
- | 20000-35000 | - | - | 100 | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 8.11 | |
|
Enzyme
Transferase
|
- | 50 | - | - | 100.24 |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 36578 |
| ChEMBL | CHEMBL1650619 |
| EPA CompTox | DTXSID00149908 |
| FDA SRS | 6GK82EC25D |
| PubChem | 1570 |
| SureChEMBL | SCHEMBL24755 |
| ZINC | ZINC000013524343 |
CONTENTS