Compound Detail
CHEMBL246675
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Basic Information
| ChEMBL ID | CHEMBL246675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWAQFKPHWVBFHJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
1.97
ALogP
12
HBA
1
HBD
124.8
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 7.9 | 7.9 | 12.6 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.87 | 5.87 | 1361.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 12.6 | nM | 7.9 | Antagonist activity at human adenosine A2A receptor | 17234414 |
| Adenosine receptor A2a | Ki | = | 12.6 | nM | 7.9 | Inhibition of human recombinant adenosine receptor A2a | 24164628 |
| Adenosine receptor A1 | Ki | = | 1361.0 | nM | 5.87 | Inhibition of human recombinant adenosine A1 receptor | 24164628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234414 | 10.1016/j.bmcl.2006.12.104 | Adenosine receptor A2a | 1 |
| 17234414 | 10.1016/j.bmcl.2006.12.104 | Unchecked | 1 |
| 24164628 | 10.1021/jm4011669 | Unchecked | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2b | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A2a | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A1 | 1 |
| 24164628 | 10.1021/jm4011669 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine