Compound Detail
CHEMBL606090
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Basic Information
| ChEMBL ID | CHEMBL606090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRKSCDGOQXKDME-VTHZCTBJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
-2.85
ALogP
9
HBA
5
HBD
149.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.84 | 6.84 | 144.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.49 | 5.49 | 3250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 144.0 | nM | 6.84 | Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain | 2995663 |
| Adenosine A2 receptor | Ki | = | 3250.0 | nM | 5.49 | Displacement of [3H]-NECA from adenosine A2 receptor of rat striatal membrane | 2995663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7328598 | 10.1021/jm00140a007 | Rattus norvegicus | 4 |
| 7328598 | 10.1021/jm00140a007 | Mus musculus | 2 |
| 2995663 | 10.1021/jm00148a001 | Adenosine receptor A1 | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine A2 receptor | 1 |
| 2995663 | 10.1021/jm00148a001 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine