Compound Detail
CHEMBL67096
TOLIPROLOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL67096 |
| Name | TOLIPROLOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NXQMNKUGGYNLBY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
3
Known Names
Molecular Properties
223.3
MW (Da)
1.73
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Kd 3 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 8.75 | 8.75 | 1.8 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 7.94 | 7.94 | 11.5 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 7.36 | 7.36 | 43.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 1.778 | nM | 8.75 | Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive ... | 2903245 |
| Beta-2 adrenergic receptor | Kd | = | 11.48 | nM | 7.94 | Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, con... | 2903245 |
| Beta-2 adrenergic receptor | Kd | = | 43.65 | nM | 7.36 | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... | 2993621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3988442 | Unchecked | 3 |
| 2993621 | 10.1021/jm00147a037 | Beta-2 adrenergic receptor | 2 |
| 2836587 | 10.1021/jm00401a004 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4513160 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1016/S0960-894X(97)00046-2 | Adrenergic receptor beta | 1 |
| 2903245 | 10.1021/jm00119a011 | Beta-1 adrenergic receptor | 1 |
| 2903245 | 10.1021/jm00119a011 | Beta-2 adrenergic receptor | 1 |
| 2903245 | 10.1021/jm00119a011 | Unchecked | 1 |
| 17544548 | 10.1016/j.ejmech.2007.04.002 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL4513160 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine