| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | JKU4XCC48Y |
Structure
| InChI Key | OWHBVKBNNRYMIN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H19N3O4S2 |
| Molecular Weight | 441.53 |
| AlogP | 4.42 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 100.55 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 9700 | - | - | - | |
|
Enzyme
|
- | 1000 | - | 350-720 | 80 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3113165 |
| FDA SRS | JKU4XCC48Y |
| Guide to Pharmacology | 8752 |
| SureChEMBL | SCHEMBL16646023 |
| ZINC | ZINC000103266485 |
CONTENTS