Compound Detail
CHEMBL107155
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Basic Information
| ChEMBL ID | CHEMBL107155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJGGUDOLAARRLL-MNDPQUGUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
4.27
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.68 | 5.68 | 2110.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.76 | 4.76 | 17400.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.54 | 4.54 | 28900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 2110.0 | nM | 5.68 | Displacement of [125I]AB-MECA from adenosine A3 receptor from HEK293 cell membra... | 9703464 |
| Adenosine receptor A1 | Ki | = | 17400.0 | nM | 4.76 | Binding affinity for adenosine A1 receptor as displacement of [3H]R-PIA from rat... | 9703464 |
| Adenosine receptor A2a | Ki | = | 28900.0 | nM | 4.54 | Binding affinity for adenosine A2A receptor as displacement of [3H]-CGS- 21680 f... | 9703464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703464 | 10.1021/jm980093j | Adenosine receptor A1 | 1 |
| 9703464 | 10.1021/jm980093j | Adenosine receptor A2a | 1 |
| 9703464 | 10.1021/jm980093j | Adenosine receptor A3 | 1 |
| 9703464 | 10.1021/jm980093j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine