Compound Detail
CHEMBL1940830
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Basic Information
| ChEMBL ID | CHEMBL1940830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQNVZSJNDSEQKD-DQEYMECFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
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 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.0 | 9.45 | 0.1 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.1 | nM | 10.0 | Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cell... | 22178551 |
| Beta-2 adrenergic receptor | EC50 | = | 1.259 | nM | 8.9 | Agonist activity at beta2-adrenoceptor endogenously expressed in human BEAS-2B c... | 22178551 |
| Beta-1 adrenergic receptor | EC50 | = | 251.19 | nM | 6.6 | Agonist activity at recombinant human beta1-adrenoceptor expressed in whole cell... | 22178551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22178551 | 10.1016/j.bmcl.2011.11.072 | Beta-2 adrenergic receptor | 4 |
| 22178551 | 10.1016/j.bmcl.2011.11.072 | Cavia porcellus | 2 |
| 22178551 | 10.1016/j.bmcl.2011.11.072 | Beta-1 adrenergic receptor | 1 |
| 22178551 | 10.1016/j.bmcl.2011.11.072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine