Compound Detail
CHEMBL603382
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Basic Information
| ChEMBL ID | CHEMBL603382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQFQGIIRIGPPOJ-FIALEDGQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
1.74
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.29 | 5.29 | 5190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain | 2995663 |
| Adenosine A2 receptor | Ki | = | 5190.0 | nM | 5.29 | Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane | 2995663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2995663 | 10.1021/jm00148a001 | Adenosine receptor A1 | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine A2 receptor | 1 |
| 2995663 | 10.1021/jm00148a001 | No relevant target | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine