Compound Detail
CHEMBL1744069
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Basic Information
| ChEMBL ID | CHEMBL1744069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLJRIMJGRPQVNF-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
0.50
ALogP
8
HBA
2
HBD
79.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | Kd | 7.86 | 7.86 | 13.8 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | Kd | 7.57 | 7.57 | 26.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 13.8 | nM | 7.86 | Beta-2 adrenergic receptor antagonistic activity on guinea pig tracheal chains | 6126588 |
| Beta-1 adrenergic receptor | Kd | = | 26.92 | nM | 7.57 | Compound was tested for its Beta-1 adrenergic receptor antagonistic activity on ... | 6126588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 6126588 | 10.1021/jm00350a009 | Beta-1 adrenergic receptor | 1 |
| 6126588 | 10.1021/jm00350a009 | Beta-2 adrenergic receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine