Compound Detail
CHEMBL5561419
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Basic Information
| ChEMBL ID | CHEMBL5561419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFMPLFSKHJHREU-INIZCTEOSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.16
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.76
Kd 1 meas. best 7.91
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 7.91 | 7.91 | 12.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 6.76 | 6.76 | 173.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 12.02 | nM | 7.92 | Displacement of [3H]-DHA from beta-2 AR (unknown origin) overexpressed in HEK293... | 38952152 |
| Beta-2 adrenergic receptor | Kd | = | 12.3 | nM | 7.91 | Displacement of [3H]-DHA from beta-2 AR (unknown origin) overexpressed in HEK293... | 38952152 |
| Beta-2 adrenergic receptor | IC50 | = | 173.78 | nM | 6.76 | 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