Compound Detail
CHEMBL4473272
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Basic Information
| ChEMBL ID | CHEMBL4473272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHBXEUIDXLFNRE-HSZRJFAPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.8
MW (Da)
3.57
ALogP
9
HBA
3
HBD
95.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3440 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]CGP12177 from human beta2 adrenoceptor H2.64C mutant express... | 31151791 |
| Beta-1 adrenergic receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T ... | 31151791 |
| Beta-2 adrenergic receptor | Ki | = | 320.0 | nM | 6.5 | Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell... | 31151791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31151791 | 10.1016/j.bmc.2019.05.034 | Unchecked | 3 |
| 31151791 | 10.1016/j.bmc.2019.05.034 | Beta-2 adrenergic receptor | 1 |
| 31151791 | 10.1016/j.bmc.2019.05.034 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine