Compound Detail
CHEMBL2113025
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Basic Information
| ChEMBL ID | CHEMBL2113025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCKOOJDAQVTUDQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
2.83
ALogP
8
HBA
2
HBD
105.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1100.0 | nM | 5.96 | Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]Z... | 15664803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664803 | 10.1016/j.bmcl.2004.11.062 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine