Compound Detail
CHEMBL105434
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 | CHEMBL105434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQBIFSRHBOTBBZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
1.71
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 5.75 | 5.75 | 1780.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Ki | 4.83 | 4.83 | 14900.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.67 | 4.67 | 21500.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 1780.0 | nM | 5.75 | Tested for binding affinity against alpha-2 adrenergic receptor in rat brain usi... | 8230093 |
| Beta-2 adrenergic receptor | Ki | = | 14900.0 | nM | 4.83 | Tested for binding affinity against beta-2 adrenergic receptor in bovine lung us... | 8230093 |
| Adrenergic receptor alpha-1 | Ki | = | 21500.0 | nM | 4.67 | Tested for binding affinity against alpha-1 adrenergic receptor in rat brain usi... | 8230093 |
| Beta-1 adrenergic receptor | Ki | = | 28800.0 | nM | 4.54 | Tested for binding affinity against beta-1 adrenergic receptor in rat brain usin... | 8230093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230093 | 10.1021/jm00073a006 | Adrenergic receptor alpha-2 | 3 |
| 8230093 | 10.1021/jm00073a006 | Adrenergic receptor alpha-1 | 2 |
| 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