Compound Detail
CHEMBL5196966
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Basic Information
| ChEMBL ID | CHEMBL5196966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJWBUPBBSKHOKJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5222131 |
| Active Moiety | CHEMBL5222131 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.2
MW (Da)
2.33
ALogP
4
HBA
3
HBD
82.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.0 | 7.0 | 99.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 99.47 | nM | 7.0 | Agonist activity at beta2 adrenoceptor (unknown origin) expressed in HEK293 cell... | 35360904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35360904 | 10.1021/acs.jmedchem.1c02006 | Beta-2 adrenergic receptor | 1 |
| 35360904 | 10.1021/acs.jmedchem.1c02006 | Beta-1 adrenergic receptor | 1 |
| 35360904 | 10.1021/acs.jmedchem.1c02006 | Unchecked | 1 |
| 35360904 | 10.1021/acs.jmedchem.1c02006 | Trachea | 1 |
Data from ChEMBL 36 via Core Engine