Compound Detail
CHEMBL600007
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Basic Information
| ChEMBL ID | CHEMBL600007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JALKRHQYYXOVJR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
2.77
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.81 | 7.81 | 15.4 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 15.4 | nM | 7.81 | Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO... | 20096576 |
| Beta-1 adrenergic receptor | EC50 | = | 200.0 | nM | 6.7 | Agonist activity at human recombinant adrenergic beta-1 receptor expressed in CH... | 20096576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20096576 | 10.1016/j.bmcl.2009.12.087 | Cavia porcellus | 163 |
| 20096576 | 10.1016/j.bmcl.2009.12.087 | Beta-2 adrenergic receptor | 2 |
| 20096576 | 10.1016/j.bmcl.2009.12.087 | Beta-1 adrenergic receptor | 2 |
| 20096576 | 10.1016/j.bmcl.2009.12.087 | ADMET | 1 |
| 20096576 | 10.1016/j.bmcl.2009.12.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine