Compound Detail
CHEMBL4874511
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Basic Information
| ChEMBL ID | CHEMBL4874511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWCKXUXUVUSMDI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.8
MW (Da)
3.36
ALogP
3
HBA
3
HBD
58.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.66 | 7.66 | 21.8 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 5.41 | 5.41 | 3890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 21.8 | nM | 7.66 | Agonist activity at beta2 adrenoceptor (unknown origin) | 33213146 |
| Beta-1 adrenergic receptor | EC50 | = | 3890.0 | nM | 5.41 | Agonist activity at beta1 adrenoceptor (unknown origin) | 33213146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33213146 | 10.1021/acs.jmedchem.0c01195 | Beta-2 adrenergic receptor | 1 |
| 33213146 | 10.1021/acs.jmedchem.0c01195 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine