| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 788PET5SUA |
Structure
| InChI Key | VCGRFBXVSFAGGA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H20FN3O5S |
| Molecular Weight | 445.47 |
| AlogP | 2.63 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 102.6 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 489 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Down Syndrome | 2 | D004314 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Schizophrenia | 2 | D012559 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1159600-41-5 |
| ChEMBL | CHEMBL3681419 |
| DrugBank | DB11877 |
| FDA SRS | 788PET5SUA |
| Guide to Pharmacology | 10427 |
| PubChem | 57336276 |
| SureChEMBL | SCHEMBL2685527 |
| ZINC | ZINC000145814743 |
CONTENTS