Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UKNOWN |
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 |