Compound Detail
CHEMBL550746
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Basic Information
| ChEMBL ID | CHEMBL550746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJILDPFOVWTGZ-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.15
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.12 | 6.12 | 760.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | EC50 | = | 760.0 | nM | 6.12 | Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cel... | 19232786 |
| Beta-3 adrenergic receptor | EC50 | = | 1700.0 | nM | 5.77 | Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cell... | 19232786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19232786 | 10.1016/j.ejmech.2009.01.022 | Beta-3 adrenergic receptor | 2 |
| 19232786 | 10.1016/j.ejmech.2009.01.022 | Beta-2 adrenergic receptor | 2 |
| 19232786 | 10.1016/j.ejmech.2009.01.022 | Beta-1 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine