Compound Detail
CHEMBL5592612
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Basic Information
| ChEMBL ID | CHEMBL5592612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIBFQTMYJFAKQR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6069056 |
| Active Moiety | CHEMBL6069056 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.00
ALogP
5
HBA
4
HBD
90.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 9.29 | 9.29 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 0.0302 | nM | 10.52 | Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed ... | 38347756 |
| Beta-1 adrenergic receptor | EC50 | = | 0.5129 | nM | 9.29 | Agonist activity at human beta1 adrenoceptor expressed in HEK293 cells assessed ... | 38347756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Trachea | 4 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Beta-2 adrenergic receptor | 2 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Beta-1 adrenergic receptor | 1 |
| 38347756 | 10.1021/acs.jmedchem.3c02074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine