Compound Detail
CHEMBL582911
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Basic Information
| ChEMBL ID | CHEMBL582911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHHZXNIVCUOSLC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
1.42
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.8 | 7.615 | 16.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 16.0 | nM | 7.8 | Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed ... | 19743865 |
| Adenosine receptor A3 | Ki | = | 16.0 | nM | 7.8 | Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO ... | 23427825 |
| Adenosine receptor A3 | Ki | = | 16.0 | nM | 7.8 | Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membra... | 26638043 |
| Adenosine receptor A3 | Ki | = | 87.0 | nM | 7.06 | Antagonist activity at human cloned adenosine A3 receptor expressed in CHO cells... | 19743865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19743865 | 10.1021/jm900718w | Adenosine receptor A3 | 2 |
| 19743865 | 10.1021/jm900718w | Adenosine receptor A1 | 1 |
| 19743865 | 10.1021/jm900718w | Adenosine receptor A2a | 1 |
| 19743865 | 10.1021/jm900718w | Adenosine receptor A2b | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2b | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2a | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A1 | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A3 | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A2b | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A1 | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A2a | 1 |
| 26638043 | 10.1016/j.ejmech.2015.11.015 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine