Compound Detail
CHEMBL2335163
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Basic Information
| ChEMBL ID | CHEMBL2335163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COWMQOCYJSUFSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
1.11
ALogP
4
HBA
1
HBD
33.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 1584.89 | nM | 5.8 | Displacement of [3H]dihydroalprenolol from human wild type beta1 adrenergic rece... | 23517028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517028 | 10.1021/jm400140q | Beta-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine