Compound Detail
CHEMBL62091
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C[C@H](Cc1ccc(OCP(=O)(O)c2ccccc2)cc1)NC[C@H](O)COc1ccc(O)c(NS(C)(=O)=O)c1
Basic Information
| ChEMBL ID | CHEMBL62091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMJGVUMTYYCOBO-CTNGQTDRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
564.6
MW (Da)
2.66
ALogP
8
HBA
5
HBD
154.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 120.0 | nM | 6.92 | Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamst... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00603-8 | Beta-3 adrenergic receptor | 2 |
| 9925722 | 10.1021/jm980521l | Beta-3 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine