| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 1FI3KTC550 |
Structure
| InChI Key | QKIWQBLNTSQOLY-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22FN7O |
| Molecular Weight | 395.44 |
| AlogP | 3.42 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 83.02 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
GABA-A receptor
|
- | - | - | 0-0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 2 | D012559 | ClinicalTrials |
| Anxiety | 2 | D001007 | ClinicalTrials |
| Anxiety Disorders | 2 | D001008 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 252977-51-8 |
| ChEMBL | CHEMBL200177 |
| DrugBank | DB12238 |
| EPA CompTox | DTXSID10179938 |
| FDA SRS | 1FI3KTC550 |
| Guide to Pharmacology | 4327 |
| PubChem | 9908684 |
| SureChEMBL | SCHEMBL1042961 |
| ZINC | ZINC000000602381 |
CONTENTS