Compound Detail
CHEMBL219916
DOMPERIDONE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL219916 |
| Name | DOMPERIDONE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FGXWKSZFVQUSTL-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
28
Targets
74
Activities
3
Assay Types
26
PK Parameters
20
Publications
12
Known Names
9
Indications
1
Mechanisms
Molecular Properties
425.9
MW (Da)
3.35
ALogP
5
HBA
2
HBD
78.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dopamine D2 receptor antagonist | ANTAGONIST | D(2) dopamine receptor | ✓ | ✓ |
Indications
Digestive System Diseases Dyspepsia Gastroenteritis Gastroesophageal Reflux Gastroparesis Multiple Sclerosis, Chronic Progressive Multiple Sclerosis, Relapsing-Remitting Parkinson Disease Premature Birth
ATC Classification
A03FA03
domperidone
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Activity Summary
IC50 43 meas. best 9.0
Ki 30 meas. best 9.28
Kd 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.28 | 9.26 | 0.5 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 9.05 | 8.97 | 0.9 | 2 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 9.0 | 8.46 | 1.0 | 5 |
| Dopamine receptor D2 and D3 CHEMBL2111342 | Ki | 8.99 | 8.75 | 1.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 8.58 | 8.58 | 2.6 | 1 |
| D(3) dopamine receptor CHEMBL3138 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.46 | 8.2275 | 3.5 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.93 | 7.885 | 11.7 | 2 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 7.24 | 6.865 | 57.5 | 6 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 7.06 | 7.06 | 87.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.94 | 6.94 | 116.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| Rattus norvegicus CHEMBL376 | Ki | 6.82 | 6.41 | 152.0 | 2 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.81 | 6.81 | 156.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.28 | 6.28 | 524.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.23 | 5.965 | 588.8 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.16 | 6.16 | 698.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.03 | 6.03 | 944.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.01 | 6.01 | 970.0 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 6.0 | 6.0 | 1011.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.99 | 5.99 | 1027.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.1133 | 1035.0 | 3 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.97 | 5.97 | 1065.0 | 1 |
| Aldehyde oxidase CHEMBL3257 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.88 | 5.88 | 1332.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 5.87 | 5.87 | 1344.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.8 | 5.2429 | 1584.9 | 7 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.79 | 5.79 | 1623.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.78 | 5.78 | 1655.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.77 | 5.77 | 1712.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.67 | 5.67 | 2125.0 | 1 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.59 | 5.59 | 2593.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.58 | 5.58 | 2614.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 5.56 | 5.56 | 2740.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.55 | 5.55 | 2798.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.51 | 5.51 | 3055.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.38 | 5.38 | 4218.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.16 | 5.16 | 6994.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 5.06 | 5.06 | 8800.0 | 1 |
| Multidrug and toxin extrusion protein 2 CHEMBL1743127 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 108.6 | mL.min-1.g-1 | Homo sapiens |
| CL | 271.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 59.5 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 9.1 | mL.min-1.kg-1 | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
| F | 14.0 | % | Homo sapiens |
| Fu | 0.08 | - | Homo sapiens |
| Fu | 0.082 | - | Homo sapiens |
| Fu | 0.082 | - | Homo sapiens |
| Fu | 0.06 | - | Not specified |
| Fu | 0.598 | - | Homo sapiens |
| Fu | 0.029 | - | Rattus norvegicus |
| Fu | 0.017 | - | Rattus norvegicus |
| MRT | 6.0 | hr | Homo sapiens |
| T1/2 | 7.5 | hr | Homo sapiens |
| T1/2 | 0.08333 | hr | Homo sapiens |
| T1/2 | 0.9667 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine