Compound Detail
CHEMBL1257324
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1257324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBFTUDPFMMKOMZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.55
ALogP
9
HBA
4
HBD
111.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.59
EC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 7.01 | 7.01 | 97.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.59 | 6.59 | 259.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 97.0 | nM | 7.01 | Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO... | 20833036 |
| Beta-2 adrenergic receptor | Ki | = | 259.0 | nM | 6.59 | Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expres... | 20833036 |
| Beta-3 adrenergic receptor | Ki | = | 620.0 | nM | 6.21 | 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