Compound Detail
CHEMBL148306
(S)-METOPROLOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL148306 |
| Name | (S)-METOPROLOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUBSYMUCCVWXPE-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
267.4
MW (Da)
1.61
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 8.12 | 8.12 | 7.6 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 7.02 | 7.02 | 95.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 7.586 | nM | 8.12 | Compound was tested for its Beta-1 adrenergic receptor antagonistic activity on ... | 6126588 |
| Beta-2 adrenergic receptor | Kd | = | 95.5 | nM | 7.02 | Beta-2 adrenergic receptor antagonistic activity on guinea pig tracheal chains | 6126588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836611 | 10.1021/jm9810102 | No relevant target | 7 |
| 6126588 | 10.1021/jm00350a009 | Beta-1 adrenergic receptor | 1 |
| 6126588 | 10.1021/jm00350a009 | Beta-2 adrenergic receptor | 1 |
| 9836611 | 10.1021/jm9810102 | Homo sapiens | 1 |
| 9836611 | 10.1021/jm9810102 | ADMET | 1 |
| 3336032 | 10.1021/jm00396a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine