Compound Detail
CHEMBL1947152
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Basic Information
| ChEMBL ID | CHEMBL1947152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGGHXKYYWLVRAE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.7
MW (Da)
5.63
ALogP
5
HBA
4
HBD
77.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.3
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 23.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 14.0 | hr | Rattus norvegicus |
| Vd | 29.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.5012 | nM | 9.3 | Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reducti... | 22079756 |
| Beta-2 adrenergic receptor | IC50 | = | 31.62 | nM | 7.5 | Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenocept... | 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 | Rattus norvegicus | 3 |
| 22079756 | 10.1016/j.bmcl.2011.10.049 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine