Molecule Details
| InChIKey | YQEZLKZALYSWHR-ZDUSSCGKSA-N |
|---|---|
| Compound Name | Esketamine |
| Canonical SMILES | CN[C@]1(c2ccccc2Cl)CCCCC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.94 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11823 |
|---|---|
| Drug Name | Esketamine |
| CAS Number | 33643-46-8 |
| Groups | approved investigational |
| ATC Codes | N06AX27 N01AX14 |
| Description | Major depressive disorder (MDD) is a significant cause of disability worldwide and the most common illness preceding suicide.[L5596,A175462] On March 5, 2019, the nasal spray drug, _esketamine_, also known as _Spravato_ (by Janssen Pharmaceuticals), was approved by the FDA for treatment-resistant ma... |
Categories: Agents producing tachycardia Anesthetics Anesthetics, General Antidepressive Agents Antidepressive Agents Indicated for Depression Central Nervous System Agents Central Nervous System Depressants Cyclohexanes Cycloparaffins Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (weak) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Miscellaneous Antidepressants NMDA Receptor Antagonists Nervous System Non-Competitive N-Methyl D-Aspartate (NMDA) Receptor Antagonists Psychoanaleptics Psychotropic Drugs
Cross-references: ChEBI: 60799 CHEMBL395091 ChemSpider: 158414 Drugs Product Database (DPD): 23459 D07283 PDB: JC9 PubChem:182137 PubChem:347828170 RxCUI: 2119365 Wikipedia: Esketamine ZINC: ZINC000035999642
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P23560 | P23560 | Neurotrophic factor BDNF precursor form | agonist | targets |
| Q05586 | GRIN1 | NMDA receptor | antagonist | targets |
| Q13224 | GRIN2B | Glutamate receptor ionotropic, NMDA 2B | antagonist | targets |
| P13639 | P13639 | Elongation factor 2 | inhibitor | targets |
| Q16620 | NTRK2 | BDNF/NT-3 growth factors receptor | upregulator | targets |