| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8NA5SWF92O |
| InChI Key | VAYOSLLFUXYJDT-RDTXWAMCSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H25N3O |
| Molecular Weight | 323.44 |
| AlogP | 2.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 39.34 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
| 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
Adrenergic receptor
|
- | - | - | 140 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | - | - | 120-126 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | - | - | 1540 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
10-10 | - | - | 3-4 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anxiety | 2 | D001007 | ClinicalTrials |
| Pain | 2 | D010146 | ClinicalTrials |
| Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEBI | 6605 |
| ChEMBL | CHEMBL263881 |
| DrugBank | DB04829 |
| DrugCentral | 1621 |
| EPA CompTox | DTXSID1023231 |
| FDA SRS | 8NA5SWF92O |
| Guide to Pharmacology | 17 |
| KEGG | C07542 |
| PDB | 7LD |
| PubChem | 5761 |
| SureChEMBL | SCHEMBL113755 |
| ZINC | ZINC000096903803 |