Compound Detail
CHEMBL108801
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 | CHEMBL108801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRXAVFJTJSFNTQ-CAPFRKAQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
4.98
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.7 | 5.7 | 2010.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 4.55 | 4.55 | 28100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 2010.0 | nM | 5.7 | Binding affinity to human adenosine A3 receptor | 18809334 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 28100.0 | nM | 4.55 | Agonist-enhancing activity in epsilon-epitope tagged TRPV1 receptor expressed in... | 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 | 4 |
| 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 | Adenosine receptor A3 | 1 |
| 9703464 | 10.1021/jm980093j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine