| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | J04AD01 |
| UNII: | 76YOO33643 |
Structure
| InChI Key | VRDIULHPQTYCLN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N2S |
| Molecular Weight | 180.28 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 38.91 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 4500 | - | - | 84-105 |
Indications
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 32066 |
| ChEMBL | CHEMBL1378024 |
| DrugBank | DB12667 |
| DrugCentral | 2314 |
| EPA CompTox | DTXSID7045940 |
| FDA SRS | 76YOO33643 |
| PubChem | 666418 |
| SureChEMBL | SCHEMBL74572 |
| ZINC | ZINC000003874803 |
CONTENTS