Compound Detail
CHEMBL322983
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Basic Information
| ChEMBL ID | CHEMBL322983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLUFHTIGWLCRKK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
4.83
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.7 | 8.6867 | 2.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 2.0 | nM | 8.7 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 18996701 |
| Adenosine receptor A3 | Ki | = | 2.1 | nM | 8.68 | Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor ex... | 10956220 |
| Adenosine receptor A3 | Ki | = | 2.1 | nM | 8.68 | Antagonist activity at human adenosine A3 receptor | 21511471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A3 | 2 |
| 10956220 | 10.1021/jm000936i | Adenosine receptor A1 | 1 |
| 10956220 | 10.1021/jm000936i | Adenosine receptor A2a | 1 |
| 10956220 | 10.1021/jm000936i | Adenosine receptor A3 | 1 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A1 | 1 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A2a | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A2b | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A2a | 1 |
| 18996701 | 10.1016/j.bmc.2008.10.018 | Adenosine receptor A1 | 1 |
| 21511471 | 10.1016/j.bmcl.2011.03.073 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine