Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | S052TOI9BI |
InChI Key | SBBYBXSFWOLDDG-JLTOFOAXSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C23H24F7N3O |
Molecular Weight | 491.45 |
AlogP | 5.93 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 35.58 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 34.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Neurokinin receptor
|
- | 0 | 0 | 0-0 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Postoperative Nausea and Vomiting | 2 | D020250 | ClinicalTrials |
Phobia, Social | 2 | D000072861 | ClinicalTrials |
Sleep Initiation and Maintenance Disorders | 2 | D007319 | ClinicalTrials |
Sleep Wake Disorders | 2 | D012893 | ClinicalTrials |
Tinnitus | 2 | D014012 | ClinicalTrials |
Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
Depressive Disorder | 2 | D003866 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 334476-46-9 |
ChEMBL | CHEMBL522987 |
DrugBank | DB11949 |
EPA CompTox | DTXSID50187092 |
FDA SRS | S052TOI9BI |
Guide to Pharmacology | 5757 |
PubChem | 9832383 |
SureChEMBL | SCHEMBL2485871 |