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 |