Compound Detail
CHEMBL5427527
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Basic Information
| ChEMBL ID | CHEMBL5427527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPDXLTWWYPTGHL-BHWOMJMDSA-N |
3
Targets
6
Activities
2
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
EC50 3 meas. best 7.13
Kd 3 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.13 | 7.13 | 74.1 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 6.99 | 6.99 | 102.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 6.97 | 6.97 | 107.2 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Kd | 5.87 | 5.87 | 1349.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | EC50 | = | 74.13 | nM | 7.13 | Agonist activity at human beta1-adrenergic receptor expressed in CHO-K1 cells co... | 36495629 |
| Beta-1 adrenergic receptor | Kd | = | 102.33 | nM | 6.99 | Antagonist activity at human beta1-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
| Beta-2 adrenergic receptor | Kd | = | 107.15 | nM | 6.97 | Antagonist activity at human beta2-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
| Beta-3 adrenergic receptor | Kd | = | 1348.96 | nM | 5.87 | Antagonist activity at human beta3-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
| Beta-2 adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human beta2-adrenergic receptor expressed in CHO-K1 cells co... | 36495629 |
| Beta-3 adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human beta3-adrenergic receptor expressed in CHO-K1 cells co... | 36495629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-1 adrenergic receptor | 3 |
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-2 adrenergic receptor | 3 |
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-3 adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine