Compound Detail
CHEMBL549
CITALOPRAM 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL549 |
| Name | CITALOPRAM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WSEQXVZVJXJVFP-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
26
Targets
75
Activities
3
Assay Types
29
PK Parameters
20
Publications
2
Known Names
20
Indications
Molecular Properties
324.4
MW (Da)
3.81
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1998 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Depressive Disorder Depressive Disorder Depressive Disorder, Major Anxiety Burning Mouth Syndrome Dementia Obsessive-Compulsive Disorder Psychomotor Agitation Schizophrenia Stroke Alcoholism Alcoholism Bipolar Disorder Cocaine-Related Disorders Cocaine-Related Disorders Irritable Bowel Syndrome Opioid-Related Disorders Panic Disorder Parkinson Disease Acute Coronary Syndrome
ATC Classification
N06AB04
citalopram
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 37 meas. best 9.04
Ki 33 meas. best 9.32
EC50 5 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.32 | 8.3 | 0.5 | 8 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.04 | 8.008 | 0.9 | 10 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.82 | 8.7767 | 1.5 | 3 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 8.74 | 8.5425 | 1.8 | 4 |
| Sodium-dependent serotonin transporter CHEMBL4642 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.0 | 5.73 | 10.0 | 6 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.81 | 6.81 | 156.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.78 | 6.78 | 167.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.54 | 6.54 | 292.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.53 | 6.53 | 297.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.43 | 6.43 | 371.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.4 | 6.4 | 398.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.15 | 6.15 | 711.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.0 | 5.8067 | 996.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.7733 | 1025.0 | 3 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.93 | 5.93 | 1171.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 5.79 | 5.79 | 1617.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 5.75 | 5.75 | 1756.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.74 | 5.74 | 1839.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 5.74 | 5.74 | 1820.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.66 | 5.66 | 2196.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.66 | 5.435 | 2178.0 | 2 |
| Histamine H1 receptor CHEMBL231 | IC50 | 5.5 | 5.5 | 3194.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.48 | 5.48 | 3289.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 5.48 | 5.48 | 3288.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 5.27 | 5.27 | 5410.0 | 1 |
| Transporter CHEMBL6184 | Ki | 5.22 | 5.22 | 5950.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.21 | 5.21 | 6190.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Norepinephrine transporter CHEMBL304 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.03 | 4.905 | 9270.0 | 2 |
| DG-75 CHEMBL2366199 | EC50 | 4.9 | 4.9 | 12589.2 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 4.86 | 4.86 | 13661.8 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.8 | 4.8 | 15848.9 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 4.78 | 4.78 | 16540.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
| SH-SY5Y CHEMBL614910 | EC50 | 4.6 | 4.6 | 25118.9 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 4.3 | 4.3 | 50118.7 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | IC50 | 4.19 | 4.19 | 64500.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.13 | 4.13 | 73300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 12900.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12500.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 421.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 401.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 958.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 930.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 36.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 4.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 39.0 | mL.min-1.kg-1 | Macaca |
| CL | 82.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 14.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 80.0 | % | Homo sapiens |
| Fu | 0.2 | - | Homo sapiens |
| Fu | 0.2 | - | Homo sapiens |
| Fu | 0.2 | - | Homo sapiens |
| Fu | 0.81 | - | Homo sapiens |
| Fu | 0.047 | - | Homo sapiens |
| Fu | 0.061 | - | Macaca fascicularis |
| Fu | 0.057 | - | Canis lupus familiaris |
| Fu | 0.038 | - | Cavia porcellus |
| Fu | 0.06 | - | Mus musculus |
| Fu | 0.03 | - | Rattus norvegicus |
| Fu | 0.05 | - | Rattus norvegicus |
| MRT | 47.0 | hr | Homo sapiens |
| T1/2 | 33.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine