Compound Detail
CHEMBL113420
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Basic Information
| ChEMBL ID | CHEMBL113420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRAIDRDLWXIJJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
3.94
ALogP
6
HBA
0
HBD
61.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.46 | 7.46 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 35.0 | nM | 7.46 | Ability to displace [125I]- AB-MECA from HEK 293 cell membrane expressing the hu... | 12139445 |
| Adenosine receptor A3 | Ki | = | 35.0 | nM | 7.46 | Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor exp... | 22468757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22468757 | 10.1021/jm300087j | Adenosine receptor A3 | 2 |
| 12139445 | 10.1021/jm0208469 | Adenosine receptor A1 | 1 |
| 12139445 | 10.1021/jm0208469 | Adenosine receptor A2a | 1 |
| 12139445 | 10.1021/jm0208469 | Adenosine receptor A3 | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A2a | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptor A1 | 1 |
| 22468757 | 10.1021/jm300087j | Unchecked | 1 |
| 22468757 | 10.1021/jm300087j | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine