Compound Detail
CHEMBL5208931
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Basic Information
| ChEMBL ID | CHEMBL5208931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDISIASIGHYSLQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5222827 |
| Active Moiety | CHEMBL5222827 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.2
MW (Da)
1.95
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 6.36 | 6.36 | 440.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 440.2 | nM | 6.36 | 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