Compound Detail
CHEMBL2088199
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Basic Information
| ChEMBL ID | CHEMBL2088199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMDAQMWILNVNIT-YSYXNDDBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.37
ALogP
4
HBA
4
HBD
85.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 7.71 | 7.71 | 19.4 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.59 | 6.59 | 259.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 19.4 | nM | 7.71 | Binding affinity to human beta2-adrenoceptor by radioligand binding assay | 22932315 |
| Beta-1 adrenergic receptor | Ki | = | 259.0 | nM | 6.59 | Binding affinity to human beta1-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