Compound Detail
CHEMBL105383
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Basic Information
| ChEMBL ID | CHEMBL105383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICQJOAAZGCOTMT-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.67
ALogP
4
HBA
3
HBD
75.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.89
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.89 | 5.89 | 1280.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 5.46 | 5.46 | 3450.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL5471 | IC50 | 5.17 | 5.17 | 6760.8 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Ki | 4.54 | 4.54 | 28800.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL5414 | IC50 | 4.52 | 4.52 | 30199.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.22 | 4.22 | 60300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 1280.0 | nM | 5.89 | Tested for binding affinity against alpha-2 adrenergic receptor in rat brain usi... | 8230093 |
| Beta-1 adrenergic receptor | Ki | = | 3450.0 | nM | 5.46 | Tested for binding affinity against beta-1 adrenergic receptor in rat brain usin... | 8230093 |
| Beta-1 adrenergic receptor | IC50 | = | 6760.83 | nM | 5.17 | Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is de... | 8230093 |
| Beta-2 adrenergic receptor | Ki | = | 28800.0 | nM | 4.54 | Tested for binding affinity against beta-2 adrenergic receptor in bovine lung us... | 8230093 |
| Beta-2 adrenergic receptor | IC50 | = | 30199.52 | nM | 4.52 | Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal st... | 8230093 |
| Adrenergic receptor alpha-1 | Ki | = | 60300.0 | nM | 4.22 | Tested for binding affinity against alpha-1 adrenergic receptor in rat brain usi... | 8230093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230093 | 10.1021/jm00073a006 | Adrenergic receptor alpha-1 | 3 |
| 8230093 | 10.1021/jm00073a006 | Adrenergic receptor alpha-2 | 3 |
| 8230093 | 10.1021/jm00073a006 | Beta-1 adrenergic receptor | 2 |
| 8230093 | 10.1021/jm00073a006 | Beta-2 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine