Compound Detail
CHEMBL419994
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Basic Information
| ChEMBL ID | CHEMBL419994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMIQTCHQVGVLMI-UONOGXRCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.88
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 8.47 | 8.47 | 3.4 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | 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-2 adrenergic receptor | Kd | = | 3.388 | nM | 8.47 | Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, con... | 2903245 |
| Beta-1 adrenergic receptor | Kd | = | 95.5 | nM | 7.02 | Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive ... | 2903245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2903245 | 10.1021/jm00119a011 | Beta-1 adrenergic receptor | 1 |
| 2903245 | 10.1021/jm00119a011 | Beta-2 adrenergic receptor | 1 |
| 2903245 | 10.1021/jm00119a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine