Compound Detail
CHEMBL348176
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Basic Information
| ChEMBL ID | CHEMBL348176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEWCKJIIPNTKOC-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.5
MW (Da)
3.61
ALogP
5
HBA
4
HBD
110.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.0
Ki 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2095166 | Ki | 9.21 | 9.02 | 0.6 | 2 |
| Adrenergic receptor beta CHEMBL2095166 | Kd | 9.0 | 8.9 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Ki | = | 0.61 | nM | 9.21 | Binding affinity against beta adrenergic receptor from rat heart tissues was det... | 2882025 |
| Adrenergic receptor beta | Kd | = | 1.0 | nM | 9.0 | Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic re... | 2882025 |
| Adrenergic receptor beta | Ki | = | 1.49 | nM | 8.83 | Binding affinity against beta adrenergic receptor from rat lung tissues was dete... | 2882025 |
| Adrenergic receptor beta | Kd | = | 1.6 | nM | 8.8 | Binding affinity against the [3H]dihydroalprenolol binding to beta adrenergic re... | 2882025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2882025 | 10.1021/jm00387a005 | Adrenergic receptor beta | 12 |
Data from ChEMBL 36 via Core Engine