Compound Detail
CHEMBL641
ATOMOXETINE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL641 |
| Name | ATOMOXETINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VHGCDTVCOLNTBX-QGZVFWFLSA-N |
| Therapeutic | ✓ Yes |
13
Targets
58
Activities
3
Assay Types
23
PK Parameters
20
Publications
6
Known Names
20
Indications
Molecular Properties
255.4
MW (Da)
3.72
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 | 2002 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Attention Deficit Disorder with Hyperactivity Autistic Disorder Neoplasms Schizophrenia Alcoholism Cognitive Dysfunction Hypotension, Orthostatic Marijuana Abuse Opioid-Related Disorders Phobia, Social Sleep Apnea Syndromes Sleep Apnea, Obstructive Substance-Related Disorders Substance-Related Disorders Syncope, Vasovagal Tourette Syndrome Amphetamine-Related Disorders Cocaine-Related Disorders Orthostatic Intolerance Tobacco Use Disorder
ATC Classification
N06BA09
atomoxetine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 43 meas. best 8.52
Ki 12 meas. best 9.15
Kd 3 meas. best 8.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 9.15 | 8.725 | 0.7 | 2 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Kd | 8.69 | 8.69 | 2.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 8.52 | 8.3883 | 3.0 | 12 |
| Transporter CHEMBL6184 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Rattus norvegicus CHEMBL376 | Ki | 8.4 | 6.64 | 4.0 | 3 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.4 | 7.11 | 4.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | Kd | 8.05 | 8.05 | 8.9 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.37 | 6.7667 | 43.0 | 3 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.32 | 6.912 | 48.0 | 10 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.15 | 5.9467 | 708.0 | 3 |
| Sodium-dependent dopamine transporter CHEMBL238 | Kd | 5.97 | 5.97 | 1080.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.8 | 5.25 | 1584.9 | 4 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.52 | 5.5157 | 3000.0 | 7 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.37 | 4186.0 | 2 |
| Krueppel-like factor 10 CHEMBL3407312 | IC50 | 4.0 | 4.0 | 100000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 910.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 14.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 50.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 14.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | - | - | Rattus norvegicus |
| CL | 36.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 9.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.3 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 665.73 | nM | Rattus norvegicus |
| F | 63.0 | % | Homo sapiens |
| F | 85.0 | % | Homo sapiens |
| F | 1.5 | % | Rattus norvegicus |
| Fu | 0.02 | - | Homo sapiens |
| Fu | 0.02 | - | Homo sapiens |
| Fu | 0.02 | - | Homo sapiens |
| MRT | 1.5 | hr | Homo sapiens |
| T1/2 | 8.0 | hr | Homo sapiens |
| T1/2 | 3.0 | hr | Homo sapiens |
| T1/2 | 2.8 | hr | Rattus norvegicus |
| T1/2 | 5.2 | hr | Homo sapiens |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine