Compound Detail
CHEMBL1902627
CLORPRENALINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1902627 |
| Name | CLORPRENALINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SSMSBSWKLKKXGG-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
2
Known Names
Molecular Properties
213.7
MW (Da)
2.37
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 2 meas. best 5.7
Ki 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.86 | 5.86 | 1370.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.83 | 5.83 | 1497.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 5.7 | 5.7 | 1993.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 5.59 | 5.59 | 2592.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 1370.0 | nM | 5.86 | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | - |
| Beta-1 adrenergic receptor | Ki | = | 1497.0 | nM | 5.83 | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | - |
| Beta-2 adrenergic receptor | IC50 | = | 1993.0 | nM | 5.7 | DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) | - |
| Beta-1 adrenergic receptor | IC50 | = | 2592.0 | nM | 5.59 | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine