Compound Detail
CHEMBL368457
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Basic Information
| ChEMBL ID | CHEMBL368457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSKDPDQUXBBVRD-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.19
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.61
Kd 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3373 | IC50 | 7.61 | 7.61 | 24.6 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.47 | 7.47 | 33.9 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 7.42 | 7.42 | 37.9 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 7.18 | 7.18 | 66.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 24.6 | nM | 7.61 | Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding ... | 6126588 |
| Beta-1 adrenergic receptor | Kd | = | 33.88 | nM | 7.47 | Compound was tested for its Beta-1 adrenergic receptor antagonistic activity on ... | 6126588 |
| Beta-1 adrenergic receptor | IC50 | = | 37.9 | nM | 7.42 | Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding ... | 6126588 |
| Beta-2 adrenergic receptor | Kd | = | 66.07 | nM | 7.18 | Beta-2 adrenergic receptor antagonistic activity on guinea pig tracheal chains | 6126588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 6126588 | 10.1021/jm00350a009 | Beta-2 adrenergic receptor | 3 |
| 6126588 | 10.1021/jm00350a009 | Beta-1 adrenergic receptor | 2 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine