Compound Detail
CHEMBL4648525
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CC(C)(CC(c1ccccc1)c1ccccc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2.Cl
Basic Information
| ChEMBL ID | CHEMBL4648525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTENOYZOLQADDX-JIDHJSLPSA-N |
| Parent Compound | CHEMBL4651243 |
| Active Moiety | CHEMBL4651243 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.35
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.85 | 9.85 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.1413 | nM | 9.85 | Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cel... | 31753798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31753798 | 10.1016/j.bmc.2019.115178 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine