Compound Detail
CHEMBL2348213
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Basic Information
| ChEMBL ID | CHEMBL2348213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQTUACXTPNGHME-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
3.48
ALogP
6
HBA
4
HBD
101.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 8.04 | 8.04 | 9.1 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 6.06 | 6.06 | 871.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Kd | = | 9.12 | nM | 8.04 | Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 c... | 23614528 |
| Beta-2 adrenergic receptor | Kd | = | 870.96 | nM | 6.06 | Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 c... | 23614528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614528 | 10.1021/jm400348g | Unchecked | 1 |
| 23614528 | 10.1021/jm400348g | Beta-2 adrenergic receptor | 1 |
| 23614528 | 10.1021/jm400348g | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine