Compound Detail
CHEMBL2030681
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Basic Information
| ChEMBL ID | CHEMBL2030681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEIRIYJTRSQIFR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.00
ALogP
6
HBA
1
HBD
89.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 5.7 | 5.675 | 1995.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1995.26 | nM | 5.7 | Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK2... | - |
| Adenosine receptor A2a | Ki | = | 2238.72 | nM | 5.65 | Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cells a... | 22250781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22250781 | 10.1021/jm201455y | Adenosine receptor A2a | 1 |
| 22250781 | 10.1021/jm201455y | Unchecked | 1 |
| - | 10.1039/C3MD00338H | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine