Compound Detail
CHEMBL73917
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Basic Information
| ChEMBL ID | CHEMBL73917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCLVWYZGFNFOGA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.18
ALogP
7
HBA
2
HBD
78.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.21 | 6.21 | 616.6 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.21 | 5.21 | 6165.9 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 4.17 | 4.17 | 67608.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 616.6 | nM | 6.21 | Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese h... | 10377236 |
| Beta-1 adrenergic receptor | Ki | = | 6165.95 | nM | 5.21 | Binding Affinity against human Beta-1 adrenergic receptor expressed in Chinese h... | 10377236 |
| Beta-3 adrenergic receptor | Ki | = | 67608.3 | nM | 4.17 | Binding Affinity against human Beta-3 adrenergic receptor expressed in Chinese h... | 10377236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377236 | 10.1021/jm990012z | Beta-1 adrenergic receptor | 3 |
| 10377236 | 10.1021/jm990012z | Beta-2 adrenergic receptor | 3 |
| 10377236 | 10.1021/jm990012z | Beta-3 adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine