Compound Detail
CHEMBL271106
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Basic Information
| ChEMBL ID | CHEMBL271106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCOZWYSMVAXUDI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.9
MW (Da)
4.17
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.74 | 5.74 | 1840.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.38 | 5.38 | 4149.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 6.3 | nM | 8.2 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 18269230 |
| Adenosine receptor A1 | Ki | = | 1840.0 | nM | 5.74 | Displacement of [3H]DPDPX from human adenosine A1 receptor expressed in CHO cell... | 18269230 |
| Adenosine receptor A2a | Ki | = | 4149.0 | nM | 5.38 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 18269230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269230 | 10.1021/jm701159t | Adenosine receptor A2a | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A3 | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine