Compound Detail
CHEMBL1946763
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Basic Information
| ChEMBL ID | CHEMBL1946763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPPGZGCXRFURAM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
3.40
ALogP
6
HBA
4
HBD
90.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 6.8 | 6.8 | 158.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 100.0 | nM | 7.0 | Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenocept... | 22079756 |
| Beta-2 adrenergic receptor | EC50 | = | 158.49 | nM | 6.8 | 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 |
Data from ChEMBL 36 via Core Engine