Compound Detail
CHEMBL38528
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Basic Information
| ChEMBL ID | CHEMBL38528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBWLTYRKABSIQR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
1.23
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 6.74 | 6.74 | 182.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.32 | 6.32 | 479.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 47.0 | nM | 7.33 | Binding affinity to A1 adenosine receptor from rat cortical membrane in presence... | 8182711 |
| Adenosine receptor A2b | Ki | = | 182.0 | nM | 6.74 | Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in ... | 18938084 |
| Adenosine receptor A2a | Ki | = | 479.0 | nM | 6.32 | Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed ... | 18938084 |
| Adenosine A2 receptor | Ki | = | 510.0 | nM | 6.29 | Binding affinity to A2 adenosine receptor from rat striatal membrane in presence... | 8182711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182711 | 10.1021/jm00036a019 | Adenosine receptor A1 | 1 |
| 8182711 | 10.1021/jm00036a019 | Adenosine A2 receptor | 1 |
| 8182711 | 10.1021/jm00036a019 | Adenosine receptors; A1 & A2 | 1 |
| 18938084 | 10.1016/j.bmc.2008.09.067 | Adenosine receptor A2b | 1 |
| 18938084 | 10.1016/j.bmc.2008.09.067 | Adenosine receptor A2a | 1 |
| 18938084 | 10.1016/j.bmc.2008.09.067 | Unchecked | 1 |
| 18938084 | 10.1016/j.bmc.2008.09.067 | Adenosine receptor A1 | 1 |
| 18938084 | 10.1016/j.bmc.2008.09.067 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine