Compound Detail
CHEMBL485847
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NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Basic Information
| ChEMBL ID | CHEMBL485847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZXXTKLMODFRAG-UQIIZPHYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
591.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 6.5 | 6.5 | 316.2 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 2.512 | nM | 8.6 | Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cell... | 19317397 |
| Beta-3 adrenergic receptor | EC50 | = | 316.23 | nM | 6.5 | Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cell... | 19317397 |
| Beta-1 adrenergic receptor | EC50 | = | 1258.93 | nM | 5.9 | Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cel... | 19317397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19317397 | 10.1021/jm801016j | Beta-2 adrenergic receptor | 2 |
| 19317397 | 10.1021/jm801016j | Unchecked | 2 |
| 19317397 | 10.1021/jm801016j | Beta-1 adrenergic receptor | 1 |
| 19317397 | 10.1021/jm801016j | Beta-3 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine