| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 720U2QK8I5 |
Structure
| InChI Key | PGKXDIMONUAMFR-AREMUKBSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C31H35Cl2N3O2 |
| Molecular Weight | 552.55 |
| AlogP | 6.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 52.65 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 38.0 |
Pharmacology
| 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
|
- | 0-1 | - | 1-945 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anxiety | 3 | D001007 | ClinicalTrials |
| Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 142001-63-6 |
| ChEMBL | CHEMBL308148 |
| DrugBank | DB06660 |
| EPA CompTox | DTXSID00161923 |
| FDA SRS | 720U2QK8I5 |
| Guide to Pharmacology | 3481 |
| PubChem | 104974 |
| SureChEMBL | SCHEMBL185911 |
| ZINC | ZINC000003927605 |
CONTENTS