Compound Detail
CHEMBL2088196
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 | CHEMBL2088196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNWINKMRDGCDER-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.46
ALogP
4
HBA
4
HBD
85.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.64 | 6.64 | 227.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.42 | 6.42 | 382.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 227.0 | nM | 6.64 | Binding affinity to human beta1-adrenoceptor by radioligand binding assay | 22932315 |
| Beta-2 adrenergic receptor | Ki | = | 382.0 | nM | 6.42 | Binding affinity to human beta2-adrenoceptor by radioligand binding assay | 22932315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22932315 | 10.1016/j.bmcl.2012.07.096 | Beta-2 adrenergic receptor | 1 |
| 22932315 | 10.1016/j.bmcl.2012.07.096 | Beta-1 adrenergic receptor | 1 |
| 22932315 | 10.1016/j.bmcl.2012.07.096 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine