Compound Detail
CHEMBL1257323
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Basic Information
| ChEMBL ID | CHEMBL1257323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBWZADRKADTWEZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.05
ALogP
8
HBA
3
HBD
107.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.62
Ki 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 5.58 | 5.58 | 2646.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 2410.0 | nM | 5.62 | Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO... | 20833036 |
| Beta-3 adrenergic receptor | Ki | = | 2646.0 | nM | 5.58 | Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expres... | 20833036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20833036 | 10.1016/j.bmcl.2010.08.039 | Beta-3 adrenergic receptor | 4 |
| 20833036 | 10.1016/j.bmcl.2010.08.039 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine