Molecule Details
InChIKeyWSEQXVZVJXJVFP-FQEVSTJZSA-N
Compound NameEscitalopram
Canonical SMILESCN(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 pChEMBL8.41
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01175
Drug NameEscitalopram
CAS Number128196-01-0
Groups approved investigational
ATC Codes N06AB10
DescriptionEscitalopram 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P31645 SLC6A4 Homo sapiens Human PF03491 PF00209 8.7 Ki ChEMBL;BindingDB
P50406 HTR6 Homo sapiens Human PF00001 8.1 IC50 ChEMBL
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