Compound Detail
CHEMBL1159891
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Basic Information
| ChEMBL ID | CHEMBL1159891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGJVNJGGPWONPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
0.92
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Kd | = | 50.12 | nM | 7.3 | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... | 2993621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2993621 | 10.1021/jm00147a037 | Beta-2 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine