Compound Detail
CHEMBL25964
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Basic Information
| ChEMBL ID | CHEMBL25964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGAILPQNQLJXBN-MDZDMXLPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
3.54
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 7.27 | 7.27 | 54.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.21 | 7.21 | 61.3 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.06 | 5.305 | 874.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 54.0 | nM | 7.27 | Inhibition of rat recombinant adenosine receptor A2a | 24164628 |
| Adenosine A2 receptor | Ki | = | 61.3 | nM | 7.21 | Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 2168... | 8496902 |
| Adenosine receptor A1 | Ki | = | 874.0 | nM | 6.06 | Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioliga... | 8496902 |
| Adenosine receptor A1 | Ki | = | 28000.0 | nM | 4.55 | Inhibition of rat recombinant adenosine A1 receptor | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496902 | 10.1021/jm00062a005 | Adenosine receptor A1 | 1 |
| 8496902 | 10.1021/jm00062a005 | Adenosine A2 receptor | 1 |
| 8496902 | 10.1021/jm00062a005 | Adenosine receptors; A1 & A2 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2b | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A1 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine