Compound Detail
CHEMBL1940815
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Basic Information
| ChEMBL ID | CHEMBL1940815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQNVZSJNDSEQKD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.90
ALogP
6
HBA
6
HBD
105.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.5
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.5 | 9.5 | 0.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 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 | = | 0.3162 | nM | 9.5 | Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cell... | 22178551 |
| Beta-2 adrenergic receptor | IC50 | = | 39.81 | nM | 7.4 | Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by l... | 22178551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22178551 | 10.1016/j.bmcl.2011.11.072 | Beta-2 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine