Compound Detail
CHEMBL4518727
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Basic Information
| ChEMBL ID | CHEMBL4518727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHQUUSAPEMUYFD-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
1.68
ALogP
6
HBA
4
HBD
91.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 5200.0 | nM | 5.28 | 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