| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | IHU4GYZ2R3 |
Structure
| InChI Key | QTWZICCBKBYHDM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H19N3S |
| Molecular Weight | 285.42 |
| AlogP | 4.03 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 18.51 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Unclassified protein
|
- | - | - | - | 74 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 134180 |
| ChEMBL | CHEMBL549963 |
| EPA CompTox | DTXSID2047985 |
| FDA SRS | IHU4GYZ2R3 |
| PubChem | 164695 |
| SureChEMBL | SCHEMBL109756 |
| ZINC | ZINC000005140628 |
CONTENTS