Compound Detail
CHEMBL109691
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Basic Information
| ChEMBL ID | CHEMBL109691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYELSORFHCQDSM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
72.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 6.46 | 6.46 | 344.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 344.0 | nM | 6.46 | Displacement of [3H]CHA from adenosine A1 receptors was determined in bovine cor... | 11462973 |
| Adenosine receptor A2a | Ki | = | 1200.0 | nM | 5.92 | Displacement of [3H]-CGS- 21680 from adenosine A2a receptor of bovine striatal m... | 11462973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462973 | 10.1021/jm001054m | Adenosine receptor A1 | 1 |
| 11462973 | 10.1021/jm001054m | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine