Compound Detail
CHEMBL1945295
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Basic Information
| ChEMBL ID | CHEMBL1945295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYOUATPERUTYHY-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
2.76
ALogP
6
HBA
4
HBD
88.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.4 | 7.4 | 39.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 39.81 | nM | 7.4 | Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as... | 22079756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22079756 | 10.1016/j.bmcl.2011.10.049 | Beta-2 adrenergic receptor | 3 |
| 22079756 | 10.1016/j.bmcl.2011.10.049 | Beta-1 adrenergic receptor | 1 |
| 22079756 | 10.1016/j.bmcl.2011.10.049 | Alpha-1D adrenergic receptor | 1 |
| 22079756 | 10.1016/j.bmcl.2011.10.049 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine