Compound Detail
CHEMBL8966
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Basic Information
| ChEMBL ID | CHEMBL8966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXMZKPVQYIIUDG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.7
MW (Da)
1.69
ALogP
7
HBA
1
HBD
95.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 5.0 | nM | 8.3 | Displacement of [3H]CHA from adenosine A1 receptor in bovine cerebral cortical m... | 16335918 |
| Adenosine receptor A2a | Ki | = | 4900.0 | nM | 5.31 | Displacement of [3H]CGS 21680 from adenosine A2A receptor in bovine striatal mem... | 16335918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A1 | 1 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A2a | 1 |
| 16335918 | 10.1021/jm0504149 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine