Compound Detail
CHEMBL244906
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Basic Information
| ChEMBL ID | CHEMBL244906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZPZRVXQQPCERC-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.62
ALogP
8
HBA
4
HBD
120.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 6.96 | 6.31 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 110.0 | nM | 6.96 | Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings asse... | 17845020 |
| Beta-2 adrenergic receptor | EC50 | = | 2200.0 | nM | 5.66 | Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings asse... | 17845020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17845020 | 10.1021/jm0704595 | Beta-2 adrenergic receptor | 4 |
| 17845020 | 10.1021/jm0704595 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine