Compound Detail
CHEMBL164039
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Basic Information
| ChEMBL ID | CHEMBL164039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGVUBFBBRYYSDN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.59
ALogP
7
HBA
0
HBD
73.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.71 | 6.71 | 193.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 193.0 | nM | 6.71 | Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor e... | 10052977 |
| Adenosine receptor A1 | Ki | = | 13200.0 | nM | 4.88 | Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor i... | 10052977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052977 | 10.1021/jm980550w | Adenosine receptor A3 | 2 |
| 10052977 | 10.1021/jm980550w | Adenosine receptor A1 | 1 |
| 10052977 | 10.1021/jm980550w | Adenosine receptor A2a | 1 |
| 10052977 | 10.1021/jm980550w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine