Compound Detail
CHEMBL5562658
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Basic Information
| ChEMBL ID | CHEMBL5562658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTACOYRSTJHHES-SANMLTNESA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.00
ALogP
7
HBA
2
HBD
81.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.27
Kd 1 meas. best 8.95
Ki 1 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 8.95 | 8.95 | 1.1 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 8.78 | 8.78 | 1.7 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 1.122 | nM | 8.95 | Displacement of [3H]-DHA from beta-2 AR (unknown origin) overexpressed in HEK293... | 38952152 |
| Beta-2 adrenergic receptor | Ki | = | 1.66 | nM | 8.78 | Displacement of [3H]-DHA from beta-2 AR (unknown origin) overexpressed in HEK293... | 38952152 |
| Beta-2 adrenergic receptor | IC50 | = | 5.37 | nM | 8.27 | Antagonist activity at beta-2 AR (unknown origin) overexpressed in HEK293 cell m... | 38952152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38952152 | 10.1021/acs.jmedchem.4c00578 | Beta-2 adrenergic receptor | 6 |
Data from ChEMBL 36 via Core Engine