Compound Detail
CHEMBL360241
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Basic Information
| ChEMBL ID | CHEMBL360241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVGSJLSEXDJERU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
4.78
ALogP
4
HBA
1
HBD
64.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.8 | nM | 9.1 | Inhibition constant against Adenosine A2a receptor | 15713381 |
| Adenosine receptor A2a | Ki | = | 0.8 | nM | 9.1 | Binding affinity to human adenosine A2A receptor | 18637670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713381 | 10.1016/j.bmcl.2005.01.019 | Unchecked | 1 |
| 15713381 | 10.1016/j.bmcl.2005.01.019 | Adenosine receptors; A1 & A2a | 1 |
| 18637670 | 10.1021/jm701594y | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine