Compound Detail
CHEMBL4450756
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Basic Information
| ChEMBL ID | CHEMBL4450756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXJRVEPRXNSZKO-HXUWFJFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.03
ALogP
4
HBA
3
HBD
66.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3440 | Ki | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 170.0 | nM | 6.77 | Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in... | 31042379 |
| Beta-1 adrenergic receptor | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed i... | 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