Molecule Details
| InChIKey | WSEQXVZVJXJVFP-FQEVSTJZSA-N |
|---|---|
| Compound Name | Escitalopram |
| Canonical SMILES | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.41 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01175 |
|---|---|
| Drug Name | Escitalopram |
| CAS Number | 128196-01-0 |
| Groups | approved investigational |
| ATC Codes | N06AB10 |
| Description | Escitalopram is a selective serotonin re-uptake inhibitor (SSRI) and the S-enantiomer of racemic [citalopram].[A185420] It is used to restore serotonergic function in the treatment of depression and anxiety.[L8513,L8516,L8522] Escitalopram is approximately 150 times more potent than citalopram’s R-e... |
Categories: Amines Anticholinergic Agents Antidepressive Agents Antidepressive Agents Indicated for Depression Antidepressive Agents, Second-Generation Benzofurans Central Nervous System Agents Central Nervous System Depressants Combined Inhibitors of Serotonin/Norepinephrine Reuptake Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Heterocyclic Compounds, Fused-Ring Highest Risk QTc-Prolonging Agents Hypoglycemia-Associated Agents Membrane Transport Modulators Monoamine Oxidase A Substrates Muscarinic Antagonists Nervous System Neurotransmitter Agents Neurotransmitter Uptake Inhibitors Nitriles P-glycoprotein substrates Photosensitizing Agents Propylamines Psychoanaleptics Psychotropic Drugs QTc Prolonging Agents Selective Serotonin Reuptake Inhibitors Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 50302225 ChEBI: 36791 CHEMBL1508 ChemSpider: 129277 Drugs Product Database (DPD): 13585 PDB: 68P PharmGKB: PA10074 PubChem:146570 PubChem:46507040 RxCUI: 321988 Therapeutic Targets Database: DAP000741 Wikipedia: Escitalopram ZINC: ZINC000003800706
Target Activities (2)
DrugBank Target Actions (19)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | substrate | enzymes |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q06278 | AOX1 | Aldehyde oxidase | substrate | enzymes |
| P31645 | SLC6A4 | Sodium-dependent serotonin transporter | binder | targets |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | inhibitor | targets |
| P08913 | ADRA2A | Alpha-2 adrenergic receptors | inhibitor | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | inhibitor | targets |
| P14416 | DRD2 | D(2) dopamine receptor | inhibitor | targets |
| P23975 | SLC6A2 | Sodium-dependent noradrenaline transporter | inhibitor | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inhibitor | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | inhibitor | targets |
| P35348 | ADRA1A | Alpha-1 adrenergic receptors | inhibitor | targets |
| P35367 | HRH1 | Histamine H1 receptor | inhibitor | targets |
| Q01959 | SLC6A3 | Sodium-dependent dopamine transporter | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |