Compound Detail
CHEMBL305153
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL305153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSKDPDQUXBBVRD-AWEZNQCLSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
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 7.53
Kd 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 7.77 | 7.77 | 17.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 7.53 | 7.53 | 29.4 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | IC50 | 7.51 | 7.51 | 30.8 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.43 | 7.43 | 37.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 16.98 | nM | 7.77 | Beta-2 adrenergic receptor antagonistic activity on guinea pig tracheal chains | 6126588 |
| Beta-1 adrenergic receptor | IC50 | = | 29.4 | nM | 7.53 | Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding ... | 6126588 |
| Beta-2 adrenergic receptor | IC50 | = | 30.8 | nM | 7.51 | Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding ... | 6126588 |
| Beta-1 adrenergic receptor | Kd | = | 37.15 | nM | 7.43 | Compound was tested for its Beta-1 adrenergic receptor antagonistic activity on ... | 6126588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6126588 | 10.1021/jm00350a009 | Beta-2 adrenergic receptor | 3 |
| 6126588 | 10.1021/jm00350a009 | Beta-1 adrenergic receptor | 2 |
| 2903243 | 10.1021/jm00119a004 | Adrenergic receptor beta | 1 |
| 2903243 | 10.1021/jm00119a004 | Beta-1 adrenergic receptor | 1 |
| 2903243 | 10.1021/jm00119a004 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine