| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | G3QE979K1X |
Structure
| InChI Key | SXMBKHYDZOCBMT-PPUGGXLSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H24F2N2O |
| Molecular Weight | 322.4 |
| AlogP | 3.13 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 32.34 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | - | - | 2-2 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Rhinitis, Allergic, Seasonal | 2 | D006255 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Tourette Syndrome | 2 | D005879 | ClinicalTrials |
| Alzheimer Disease | 1 | D000544 | ClinicalTrials |
| Schizophrenia | 1 | D012559 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 935840-31-6 |
| ChEMBL | CHEMBL2151197 |
| DrugBank | DB12201 |
| FDA SRS | G3QE979K1X |
| Guide to Pharmacology | 9058 |
| SureChEMBL | SCHEMBL4947732 |
| ZINC | ZINC000100001877 |
CONTENTS