Compound Detail
CHEMBL1682210
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Basic Information
| ChEMBL ID | CHEMBL1682210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTWASHNAFBXXCC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
3.74
ALogP
5
HBA
6
HBD
126.5
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | EC50 | 10.15 | 10.15 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.07 | nM | 10.15 | Agonist activity at beta2 adrenoceptor in guinea pig tracheal rings assessed as ... | 21277205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21277205 | 10.1016/j.bmcl.2010.12.096 | Cavia porcellus | 2 |
| 21277205 | 10.1016/j.bmcl.2010.12.096 | NON-PROTEIN TARGET | 1 |
| 21277205 | 10.1016/j.bmcl.2010.12.096 | Beta-2 adrenergic receptor | 1 |
| 21277205 | 10.1016/j.bmcl.2010.12.096 | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine