Compound Detail
CHEMBL926
DOBUTAMINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL926 |
| Name | DOBUTAMINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JRWZLRBJNMZMFE-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
33
Targets
47
Activities
3
Assay Types
3
PK Parameters
20
Publications
6
Known Names
7
Indications
Molecular Properties
301.4
MW (Da)
2.96
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1978 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Cardiovascular Diseases Heart Failure Acute Lung Injury Brain Injuries Shock Shock, Septic Burns
ATC Classification
C01CA07
dobutamine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
Ki 25 meas. best 7.35
IC50 19 meas. best 8.43
EC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium yoelii yoelii CHEMBL612328 | IC50 | 8.43 | 8.43 | 3.7 | 2 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.25 | 7.25 | 56.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.91 | 6.91 | 123.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 6.82 | 6.575 | 150.0 | 2 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 6.73 | 6.73 | 186.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.47 | 6.47 | 336.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.42 | 6.42 | 383.0 | 1 |
| Carbonic anhydrase 15 CHEMBL5973 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 6.22 | 6.22 | 599.0 | 1 |
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| Carbonic anhydrase 5B, mitochondrial CHEMBL3969 | Ki | 6.05 | 6.05 | 890.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.0 | 6.0 | 1006.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.98 | 5.98 | 1058.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.98 | 5.98 | 1043.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.95 | 5.95 | 1123.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 5.87 | 5.87 | 1354.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 5.82 | 5.82 | 1517.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.77 | 5.77 | 1693.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.72 | 5.72 | 1920.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.72 | 5.72 | 1895.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 5.71 | 5.71 | 1944.0 | 1 |
| Aorta CHEMBL613606 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.6 | 5.6 | 2518.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 5.53 | 5.53 | 2966.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.4 | 5.4 | 3975.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 5.38 | 5.38 | 4170.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.37 | 5.37 | 4300.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.36 | 5.36 | 4350.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.3 | 5.3 | 4985.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.26 | 5.26 | 5519.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.26 | 5.26 | 5551.0 | 1 |
| Carbonic anhydrase 3 CHEMBL2885 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.05 | 5.05 | 8980.0 | 1 |
| Carbonic anhydrase 6 CHEMBL3025 | Ki | 5.02 | 5.02 | 9470.0 | 1 |
| Carbonic anhydrase 13 CHEMBL3912 | Ki | 5.02 | 5.02 | 9530.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.01 | 5.01 | 9820.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 4.92 | 4.92 | 12020.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.2 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 1337.0 | nM | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine