Compound Detail
CHEMBL2348217
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Basic Information
| ChEMBL ID | CHEMBL2348217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZAHCRHPGUIOBW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.96
ALogP
7
HBA
5
HBD
121.3
PSA (Ų)
0.23
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.64
Kd 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 7.64 | 7.64 | 22.9 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 7.57 | 7.305 | 26.9 | 2 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | EC50 | = | 22.91 | nM | 7.64 | Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells as... | 23614528 |
| Beta-1 adrenergic receptor | Kd | = | 26.92 | nM | 7.57 | Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assesse... | 23614528 |
| Beta-1 adrenergic receptor | Kd | = | 91.2 | nM | 7.04 | Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 c... | 23614528 |
| Beta-3 adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed a... | 23614528 |
| Beta-2 adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed a... | 23614528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23614528 | 10.1021/jm400348g | Beta-2 adrenergic receptor | 4 |
| 23614528 | 10.1021/jm400348g | Beta-1 adrenergic receptor | 4 |
| 23614528 | 10.1021/jm400348g | Beta-3 adrenergic receptor | 3 |
| 23614528 | 10.1021/jm400348g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine