Compound Detail
CHEMBL1175
DULOXETINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1175 |
| Name | DULOXETINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ZEUITGRIYCTCEM-KRWDZBQOSA-N |
| Therapeutic | ✓ Yes |
20
Targets
101
Activities
3
Assay Types
6
PK Parameters
20
Publications
4
Known Names
20
Indications
Molecular Properties
297.4
MW (Da)
4.63
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2004 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Anxiety Anxiety Disorders Back Pain Biliary Dyskinesia Burning Mouth Syndrome Cognitive Dysfunction Dementia Depressive Disorder Depressive Disorder Depressive Disorder, Major Diabetic Neuropathies Diabetic Neuropathies Fibromyalgia Low Back Pain Osteoarthritis Osteoarthritis, Knee Parkinson Disease Peripheral Nervous System Diseases Schizophrenia Shoulder Pain
ATC Classification
N06AX21
duloxetine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS
Activity Summary
IC50 61 meas. best 9.5
Ki 39 meas. best 10.09
EC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 10.09 | 9.215 | 0.1 | 2 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.62 | 8.795 | 0.2 | 8 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 9.5 | 8.3908 | 0.3 | 13 |
| Unchecked CHEMBL612545 | Ki | 9.1 | 8.1875 | 0.8 | 4 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 8.8 | 7.8215 | 1.6 | 13 |
| Transporter CHEMBL6184 | Ki | 8.52 | 8.2433 | 3.0 | 3 |
| Rattus norvegicus CHEMBL376 | Ki | 8.34 | 7.5233 | 4.6 | 3 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 8.34 | 7.893 | 4.6 | 10 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.62 | 6.4633 | 240.0 | 9 |
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.36 | 6.36 | 440.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.23 | 6.0988 | 590.0 | 8 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.0 | 5.825 | 1000.0 | 4 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.39 | 5.39 | 4100.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.3 | 5.1667 | 5011.9 | 3 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.28 | 5.28 | 5300.0 | 2 |
| Serine hydroxymethyltransferase, mitochondrial CHEMBL4295747 | IC50 | 5.16 | 5.16 | 6918.3 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.1 | 4.95 | 7943.3 | 2 |
| Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) CHEMBL2221347 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.74 | 4.74 | 18330.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 4.6 | 4.3 | 25118.9 | 2 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.54 | 4.54 | 29000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.32 | 4.205 | 48110.0 | 2 |
| A-type voltage-gated potassium channel KCND3 CHEMBL1964 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 38.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 178.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 22.0 | % | Rattus norvegicus |
| t1/2 | - | - | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine