| Synonyms: | |
| Status: | Approved (2019) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N01AX14 |
| UNII: | 50LFG02TXD |
Structure
| InChI Key | YQEZLKZALYSWHR-ZDUSSCGKSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C13H16ClNO | |
| Molecular Weight | 237.73 | |
| AlogP | 2.9 | |
| Hydrogen Bond Acceptor | 2.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 2.0 | |
| Polar Surface Area | 29.1 | |
| Molecular species | NEUTRAL | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 16.0 |
Pharmacology
| Action | Mechanism of Action | Reference | |
|---|---|---|---|
| NEGATIVE ALLOSTERIC MODULATOR | Glutamate [NMDA] receptor negative allosteric modulator | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 11 | - | 300-960 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference | ||
|---|---|---|---|---|---|
| Depressive Disorder | 4 | D003866 | ClinicalTrials | ||
| Depressive Disorder, Major | 3 | D003865 | ClinicalTrials | ||
| Neoplasms | 2 | D009369 | ClinicalTrials | ||
| Kidney Diseases | 1 | D007674 | ClinicalTrials | ||
| Substance-Related Disorders | 1 | D019966 | ClinicalTrials | ||
| Rhinitis, Allergic, Seasonal | 1 | D006255 | ClinicalTrials | ||
| Liver Diseases | 1 | D008107 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33643-46-8 |
| ChEBI | 60799 |
| ChEMBL | CHEMBL395091 |
| DrugBank | DB11823 |
| DrugCentral | 4468 |
| EPA CompTox | DTXSID6047810 |
| FDA SRS | 50LFG02TXD |
| Guide to Pharmacology | 9152 |
| PDB | JC9 |
| PubChem | 182137 |
| SureChEMBL | SCHEMBL5512024 |
| ZINC | ZINC000035999642 |
CONTENTS