Compound Detail
CHEMBL109081
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Basic Information
| ChEMBL ID | CHEMBL109081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPBZNJWOOZUKLW-HEHNFIMWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.61
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.67
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.34 | 5.34 | 4580.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 4.67 | 4.67 | 21300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 4580.0 | nM | 5.34 | Binding affinity to human adenosine A3 receptor | 18809334 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 21300.0 | nM | 4.67 | 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 | 5 |
| 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