| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | YW62A6TW29 |
Structure
| InChI Key | GGUSQTSTQSHJAH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H23ClFNO |
| Molecular Weight | 347.86 |
| AlogP | 4.47 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 23.47 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 83-11300 | - | 13-13 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 800-3300 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Movement Disorders | 2 | D009069 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 119431-25-3 |
| ChEBI | 91784 |
| ChEMBL | CHEMBL28564 |
| DrugBank | DB12869 |
| EPA CompTox | DTXSID1045744 |
| FDA SRS | YW62A6TW29 |
| PubChem | 60703 |
| SureChEMBL | SCHEMBL154047 |
CONTENTS