Compound Detail
CHEMBL44097
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Basic Information
| ChEMBL ID | CHEMBL44097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEIOQWQTVIFJQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.0
MW (Da)
1.90
ALogP
6
HBA
4
HBD
130.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 820.0 | nM | 6.09 | Inhibition of [3H]dihydroalprenolol binding to beta 1 adrenoceptor from turkey e... | 8093626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8093626 | 10.1021/jm00053a020 | Rattus norvegicus | 9 |
| 8093626 | 10.1021/jm00053a020 | Unchecked | 3 |
| 8093626 | 10.1021/jm00053a020 | Adrenergic receptor beta | 2 |
| 8093626 | 10.1021/jm00053a020 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine