Compound Detail
CHEMBL41189
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 | CHEMBL41189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BALOCXKMXYPXEC-ZEQRLZLVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
2.64
ALogP
9
HBA
4
HBD
110.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | IC50 | 7.33 | 7.33 | 46.8 | 1 |
| Beta-1 adrenergic receptor CHEMBL213 | IC50 | 6.63 | 6.63 | 234.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 46.77 | nM | 7.33 | Antagonist activity at beta2 adrenergic receptor (unknown origin) stably express... | 31298548 |
| Beta-1 adrenergic receptor | IC50 | = | 234.42 | nM | 6.63 | Antagonist activity at beta1 adrenergic receptor (unknown origin) stably express... | 31298548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6138434 | 10.1021/jm00365a004 | Beta-2 adrenergic receptor | 2 |
| 6138434 | 10.1021/jm00365a004 | Beta-1 adrenergic receptor | 1 |
| 6138434 | 10.1021/jm00365a004 | Rattus norvegicus | 1 |
| 6138434 | 10.1021/jm00365a004 | Adrenergic receptor beta; ADRB1 & ADRB2 | 1 |
| 6138434 | 10.1021/jm00365a004 | Unchecked | 1 |
| 31298548 | 10.1021/acs.jmedchem.9b00595 | Unchecked | 1 |
| 31298548 | 10.1021/acs.jmedchem.9b00595 | Beta-1 adrenergic receptor | 1 |
| 31298548 | 10.1021/acs.jmedchem.9b00595 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine