Compound Detail
CHEMBL295072
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 | CHEMBL295072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOTRTWXNJQSQJS-LURJTMIESA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
0.23
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL2289 | Ki | 7.17 | 7.17 | 67.0 | 1 |
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 5.4 | 5.4 | 4000.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 4.15 | 4.15 | 70100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 67.0 | nM | 7.17 | Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral c... | 10780918 |
| Beta-1 adrenergic receptor | Ki | = | 130.0 | nM | 6.89 | Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral c... | 10780918 |
| Adrenergic receptor alpha-2 | Ki | = | 550.0 | nM | 6.26 | Binding of [3H]clonidine to alpha-2-adrenergic receptor of rat cerebral cortical... | 10780918 |
| Alpha-1B adrenergic receptor | Ki | = | 4000.0 | nM | 5.4 | Displacement of [3H]prazosin from human adrenergic Alpha-1B receptor expressed i... | 19857969 |
| Beta-2 adrenergic receptor | Ki | = | 70100.0 | nM | 4.15 | Displacement of [3H]prazosin from human adrenergic beta2 receptor N293F mutant e... | 19857969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19857969 | 10.1016/j.bmc.2009.10.015 | Beta-2 adrenergic receptor | 12 |
| 10780918 | 10.1021/jm990599h | Adrenergic receptor alpha-1 | 1 |
| 10780918 | 10.1021/jm990599h | Adrenergic receptor alpha-2 | 1 |
| 10780918 | 10.1021/jm990599h | Beta-1 adrenergic receptor | 1 |
| 10780918 | 10.1021/jm990599h | Beta-2 adrenergic receptor | 1 |
| 19857969 | 10.1016/j.bmc.2009.10.015 | Alpha-1B adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine