Compound Detail
CHEMBL5415148
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Basic Information
| ChEMBL ID | CHEMBL5415148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAIIRKGKLCATBN-CFMCSPIPSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.58
ALogP
7
HBA
2
HBD
78.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.81
EC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 5.81 | 5.81 | 1548.8 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 5.8 | 5.8 | 1584.9 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Kd | 5.47 | 5.47 | 3388.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | EC50 | = | 316.23 | nM | 6.5 | Agonist activity at human beta1-adrenergic receptor expressed in CHO-K1 cells co... | 36495629 |
| Beta-2 adrenergic receptor | Kd | = | 1548.82 | nM | 5.81 | Antagonist activity at human beta2-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
| Beta-1 adrenergic receptor | Kd | = | 1584.89 | nM | 5.8 | Antagonist activity at human beta1-adrenergic receptor expressed in CHO-K1 cells... | 36495629 |
| Beta-3 adrenergic receptor | Kd | = | 3388.44 | nM | 5.47 | 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 | 3 |
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-2 adrenergic receptor | 2 |
| 36495629 | 10.1016/j.ejmech.2022.114961 | Beta-3 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine