Compound Detail
CHEMBL26119
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Basic Information
| ChEMBL ID | CHEMBL26119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBQTVZYXBOKEMJ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
0.00
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 5.31 | 5.31 | 4890.0 | 1 |
| Adenosine receptor A2a CHEMBL2605 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.92 | 4.92 | 12000.0 | 2 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 4890.0 | nM | 5.31 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
| Adenosine receptor A2a | Ki | = | 6000.0 | nM | 5.22 | Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation... | 3806581 |
| Adenosine receptor A1 | Ki | = | 12000.0 | nM | 4.92 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
| Adenosine receptor A1 | Ki | = | 12000.0 | nM | 4.92 | Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 recep... | 3806581 |
| Adenosine A2 receptor | Ki | = | 16000.0 | nM | 4.8 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A1 | 1 |
| 3806581 | 10.1021/jm00157a035 | Adenosine receptor A2a | 1 |
| 3806581 | 10.1021/jm00157a035 | Unchecked | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine