Compound Detail
CHEMBL111239
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 | CHEMBL111239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEVWYPYUJPDRTJ-PYCFMQQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
5.76
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.68 | 5.68 | 2090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 2090.0 | nM | 5.68 | Binding affinity to human adenosine A3 receptor | 18809334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18809334 | 10.1016/j.bmc.2008.08.048 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 9703464 | 10.1021/jm980093j | Adenosine receptor A3 | 2 |
| 18809334 | 10.1016/j.bmc.2008.08.048 | Adenosine receptor A3 | 2 |
| 9703464 | 10.1021/jm980093j | Adenosine receptor A1 | 1 |
| 9703464 | 10.1021/jm980093j | Adenosine receptor A2a | 1 |
| 9703464 | 10.1021/jm980093j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine