Compound Detail
CHEMBL72168
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Basic Information
| ChEMBL ID | CHEMBL72168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LULIDPWYMOAXGN-ZGTOLYCTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.9
MW (Da)
3.46
ALogP
5
HBA
3
HBD
82.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 5.19 | 5.19 | 6400.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 4.86 | 4.86 | 13900.0 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 4.44 | 4.44 | 36500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 6400.0 | nM | 5.19 | Compound was tested for its binding affinity against Beta-1 adrenergic receptor ... | - |
| Beta-2 adrenergic receptor | Ki | = | 13900.0 | nM | 4.86 | Compound was tested for its binding affinity against beta2 adrenergic receptor i... | - |
| Beta-3 adrenergic receptor | Ki | = | 36500.0 | nM | 4.44 | Compound was tested for its binding affinity against beta3 adrenergic receptor i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00417-9 | Beta-3 adrenergic receptor | 3 |
| - | 10.1016/0960-894X(96)00417-9 | Beta-1 adrenergic receptor | 1 |
| - | 10.1016/0960-894X(96)00417-9 | Beta-2 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine