Compound Detail
CHEMBL275742
DEXPROPRANOLOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL275742 |
| Name | DEXPROPRANOLOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AQHHHDLHHXJYJD-CQSZACIVSA-N |
16
Targets
29
Activities
3
Assay Types
0
PK Parameters
20
Publications
2
Known Names
Molecular Properties
259.4
MW (Da)
2.58
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 18 meas. best 7.12
Ki 9 meas. best 7.28
EC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 6.77 | 6.04 | 169.8 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.67 | 6.67 | 214.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.55 | 6.55 | 279.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.49 | 6.49 | 325.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Cytochrome P450 2D26 CHEMBL2483 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 6.36 | 6.36 | 438.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.31 | 6.31 | 489.8 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.21 | 6.21 | 612.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.78 | 5.78 | 1670.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.77 | 5.66 | 1700.0 | 2 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.67 | 5.67 | 2122.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.46 | 5.46 | 3448.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.4 | 5.4 | 3974.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 4.84 | 4.84 | 14500.0 | 1 |
| Ileum CHEMBL613680 | IC50 | 4.57 | 4.57 | 27100.0 | 1 |
| Nuclear receptor subfamily 2 group E member 1 CHEMBL1961788 | EC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 18754582 | 10.1021/jm800151n | NON-PROTEIN TARGET | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 34115934 | 10.1021/acs.jmedchem.1c00733 | Nuclear receptor subfamily 2 group E member 1 | 2 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 18754582 | 10.1021/jm800151n | Ileum | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D3 | 1 |
| 18754582 | 10.1021/jm800151n | Aorta | 1 |
| 18754582 | 10.1021/jm800151n | Voltage-gated L-type calcium channel | 1 |
| 2836587 | 10.1021/jm00401a004 | Beta-2 adrenergic receptor | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D6 | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D4 | 1 |
| 3373482 | 10.1021/jm00401a007 | 5-hydroxytryptamine receptor 1A | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D26 | 1 |
| 12502361 | 10.1021/jm0209578 | Cytochrome P450 2D1 | 1 |
| 2539480 | 10.1021/jm00124a021 | Adrenergic receptor beta | 1 |
| 2539480 | 10.1021/jm00124a021 | 5-hydroxytryptamine receptor 1B | 1 |
| 2539480 | 10.1021/jm00124a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 3373482 | 10.1021/jm00401a007 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine