Compound Detail
CHEMBL5402516
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Basic Information
| ChEMBL ID | CHEMBL5402516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKCGFPFUOZQWSP-VYRBHSGPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.40
ALogP
6
HBA
2
HBD
72.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 5.22 | 5.22 | 6025.6 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Kd | 5.11 | 5.11 | 7762.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 6025.6 | nM | 5.22 | Antagonist activity at human beta1-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
| Beta-3 adrenergic receptor | Kd | = | 7762.47 | nM | 5.11 | Antagonist activity at human beta3-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-1 adrenergic receptor | 1 |
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-2 adrenergic receptor | 1 |
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine