Compound Detail
CHEMBL2348220
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2348220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKWFJDUMSGXDRP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2365796 |
| Active Moiety | CHEMBL2365796 |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
2.35
ALogP
7
HBA
5
HBD
121.3
PSA (Ų)
0.20
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.01
Kd 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 8.01 | 8.01 | 9.8 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | Kd | 7.75 | 7.62 | 17.8 | 2 |
| Beta-2 adrenergic receptor CHEMBL210 | Kd | 5.15 | 5.15 | 7079.5 | 1 |
| 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 | = | 9.772 | nM | 8.01 | Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells as... | 23614528 |
| Beta-1 adrenergic receptor | Kd | = | 17.78 | nM | 7.75 | Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assesse... | 23614528 |
| Beta-1 adrenergic receptor | Kd | = | 32.36 | nM | 7.49 | Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 c... | 23614528 |
| Beta-2 adrenergic receptor | Kd | = | 7079.46 | nM | 5.15 | Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assesse... | 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