| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | GT0I9SV4F6 |
| InChI Key | ZFPZEYHRWGMJCV-ZHALLVOQSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.4 |
| AlogP | 2.72 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 49.77 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Metabotropic glutamate receptor 5 antagonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family C G protein-coupled receptor
Small molecule receptor (family C GPCR)
Neurotransmitter receptor (family C GPCR)
Metabotropic glutamate receptor
|
- | 10-72 | - | 6-10 | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Obsessive-Compulsive Disorder | 2 | D009771 | ClinicalTrials |
| Chorea | 2 | D002819 | ClinicalTrials |
| Fragile X Syndrome | 2 | D005600 | ClinicalTrials |
| Huntington Disease | 2 | D006816 | ClinicalTrials |
| Cocaine-Related Disorders | 2 | D019970 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Kidney Diseases | 1 | D007674 | ClinicalTrials |
| Liver Diseases | 1 | D008107 | ClinicalTrials |
| Gastroesophageal Reflux | 1 | D005764 | ClinicalTrials |
| Alcohol Drinking | 1 | D000428 | ClinicalTrials |
| Alcoholism | 0 | D000437 | ClinicalTrials |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3087515 |
| DrugBank | DB13004 |
| EPA CompTox | DTXSID30202777 |
| FDA SRS | GT0I9SV4F6 |
| Guide to Pharmacology | 7586 |
| PDB | 2U8 |
| SureChEMBL | SCHEMBL989279 |
| ZINC | ZINC000003817189 |