Compound Detail
CHEMBL41
FLUOXETINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL41 |
| Name | FLUOXETINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RTHCYVBBDHJXIQ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
47
Targets
220
Activities
4
Assay Types
14
PK Parameters
20
Publications
7
Known Names
20
Indications
Molecular Properties
309.3
MW (Da)
4.44
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1987 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Anxiety Anxiety Autistic Disorder Bipolar Disorder Cerebral Hemorrhage Dementia Depressive Disorder Depressive Disorder Depressive Disorder, Major Depressive Disorder, Treatment-Resistant Enuresis Fibromyalgia Influenza, Human Obsessive-Compulsive Disorder Phobia, Social Schizophrenia Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Stress Disorders, Post-Traumatic Stroke
ATC Classification
N06AB03
fluoxetine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 119 meas. best 9.29
Ki 92 meas. best 9.57
Kd 5 meas. best 9.09
EC50 4 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.57 | 8.4971 | 0.3 | 14 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.29 | 7.91 | 0.5 | 36 |
| Sodium-dependent serotonin transporter CHEMBL228 | Kd | 9.09 | 9.09 | 0.8 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.57 | 8.1313 | 2.7 | 23 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 8.2 | 7.1067 | 6.3 | 6 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.09 | 6.4567 | 8.1 | 6 |
| MCF7 CHEMBL387 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.0 | 6.0314 | 10.0 | 7 |
| Sodium-dependent serotonin transporter CHEMBL4642 | Ki | 7.97 | 7.97 | 10.8 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 7.4 | 7.295 | 40.0 | 2 |
| Rattus norvegicus CHEMBL376 | Ki | 7.32 | 6.08 | 48.0 | 3 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.26 | 7.26 | 55.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.09 | 6.525 | 82.0 | 4 |
| Sodium-dependent noradrenaline transporter CHEMBL2370 | Ki | 7.07 | 7.07 | 85.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.05 | 6.36 | 90.0 | 3 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 6.96 | 6.96 | 109.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.92 | 6.86 | 119.0 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.84 | 6.644 | 143.0 | 5 |
| Transporter CHEMBL6184 | Ki | 6.8 | 6.25 | 158.0 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.71 | 6.43 | 194.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Kd | 6.62 | 6.62 | 240.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| ADMET CHEMBL612558 | Kd | 6.49 | 6.49 | 323.0 | 1 |
| dengue virus type 2 CHEMBL613966 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.36 | 5.905 | 440.0 | 6 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.3 | 6.185 | 499.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| MDA-MB-436 CHEMBL4296465 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.25 | 5.68 | 563.0 | 13 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.22 | 5.62 | 605.0 | 4 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.16 | 6.16 | 698.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.12 | 6.12 | 762.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 6.11 | 6.11 | 771.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.11 | 6.11 | 771.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 6.01 | 6.01 | 976.0 | 1 |
| enterovirus D68 CHEMBL613204 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 5.99 | 5.695 | 1020.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.96 | 5.695 | 1092.0 | 4 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.87 | 5.87 | 1358.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.82 | 5.82 | 1528.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.78 | 5.78 | 1661.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.72 | 5.344 | 1900.0 | 5 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.72 | 5.51 | 1920.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8e-06 | mL.min-1.g-1 | Homo sapiens |
| CL | 0.008 | uL/min | Homo sapiens |
| F | 79.0 | % | Homo sapiens |
| F | 60.0 | % | Rattus norvegicus |
| Fu | 0.004 | - | Rattus norvegicus |
| Fu | 0.003 | - | Sus scrofa |
| Fu | 0.04 | - | Not specified |
| Fu | 0.063 | - | Not specified |
| Fu | 0.056 | - | Not specified |
| Fu | 0.079 | - | Not specified |
| Fu | 0.0027 | - | Rattus norvegicus |
| Fu | 0.06 | - | Homo sapiens |
| T1/2 | 24.0 | hr | Homo sapiens |
| T1/2 | 55.2 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine