Compound Detail
CHEMBL7266
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Basic Information
| ChEMBL ID | CHEMBL7266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGBHBAZUMLQTSK-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
364.6
MW (Da)
3.54
ALogP
6
HBA
1
HBD
82.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Ki 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | IC50 | 6.28 | 6.28 | 531.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | IC50 | 6.28 | 6.28 | 531.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 5.8 | 5.8 | 1570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 64.0 | nM | 7.19 | In vitro binding affinity at human Adenosine A3 receptor from HEK293 cells by [1... | 8863790 |
| Adenosine receptor A2a | IC50 | = | 531.0 | nM | 6.28 | Binding affinity for Adenosine A2A receptor from rat striatal membranes using [3... | 8863790 |
| Adenosine A2 receptor | IC50 | = | 531.0 | nM | 6.28 | Inhibition of binding to Adenosine-2 receptor using [3H]NECA in rat striatum | 3361572 |
| Adenosine receptor A1 | IC50 | = | 1570.0 | nM | 5.8 | Binding affinity for Adenosine A1 receptor from rat cerebral cortex membranes us... | 8863790 |
| Adenosine receptor A1 | IC50 | = | 1570.0 | nM | 5.8 | Inhibition of binding towards adenosine A1 receptor using [3H]N-cyclohexyladenos... | 3361572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3361572 | 10.1021/jm00400a022 | Adenosine receptor A1 | 2 |
| 8863790 | 10.1021/jm960482i | Adenosine receptor A1 | 1 |
| 8863790 | 10.1021/jm960482i | Adenosine receptor A2a | 1 |
| 8863790 | 10.1021/jm960482i | Adenosine receptor A3 | 1 |
| 9667972 | 10.1021/jm980094b | Adenosine receptor A2b | 1 |
| 3361572 | 10.1021/jm00400a022 | Adenosine A2 receptor | 1 |
| 3361572 | 10.1021/jm00400a022 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine