Compound Detail
CHEMBL259361
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Basic Information
| ChEMBL ID | CHEMBL259361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLUSMAFXENNUTF-KSSFIOAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.40
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-3 adrenergic receptor | EC50 | = | 2.7 | nM | 8.57 | Agonist activity at human adrenergic beta-3 receptor expressed in CHO cells asse... | 18083578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083578 | 10.1016/j.bmc.2007.11.060 | Peroxisome proliferator-activated receptor alpha | 3 |
| 18083578 | 10.1016/j.bmc.2007.11.060 | Beta-3 adrenergic receptor | 2 |
| 18083578 | 10.1016/j.bmc.2007.11.060 | Beta-1 adrenergic receptor | 1 |
| 18083578 | 10.1016/j.bmc.2007.11.060 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine