Compound Detail
CHEMBL4459541
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4459541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISBAPZLLRFJIGB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.54
ALogP
6
HBA
3
HBD
80.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 3800.0 | nM | 5.42 | Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in... | 31042379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31042379 | 10.1021/acs.jmedchem.9b00349 | Beta-2 adrenergic receptor | 1 |
| 31042379 | 10.1021/acs.jmedchem.9b00349 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine