Compound Detail
CHEMBL567012
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Basic Information
| ChEMBL ID | CHEMBL567012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIFFPGJHSZVSCL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 5.87 | 5.87 | 1340.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.09 | 5.09 | 8130.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.06 | 5.06 | 8730.0 | 1 |
| Transmembrane domain-containing protein TMIGD3 CHEMBL3712907 | Ki | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 1340.0 | nM | 5.87 | Binding affinity to adenosine A2A receptor (unknown origin) | - |
| Adenosine receptor A2b | Ki | = | 8130.0 | nM | 5.09 | Binding affinity to adenosine A2B receptor (unknown origin) | - |
| Adenosine receptor A1 | Ki | = | 8730.0 | nM | 5.06 | Binding affinity to adenosine A1 receptor (unknown origin) | - |
| Transmembrane domain-containing protein TMIGD3 | Ki | = | 10800.0 | nM | 4.97 | Binding affinity to adenosine A3 receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19731917 | 10.1021/jm9006356 | Unchecked | 2 |
| - | 10.1039/C5MD00034C | Transmembrane domain-containing protein TMIGD3 | 1 |
| - | 10.1039/C5MD00034C | Adenosine receptor A2b | 1 |
| - | 10.1039/C5MD00034C | Adenosine receptor A2a | 1 |
| - | 10.1039/C5MD00034C | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine