Compound Detail
CHEMBL209366
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Basic Information
| ChEMBL ID | CHEMBL209366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCUXCRYAOFJTTI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.29
ALogP
6
HBA
3
HBD
129.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 7.5 | 7.5 | 31.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membra... | 16821798 |
| Adenosine receptor A2a | Ki | = | 23.0 | nM | 7.64 | Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membr... | 16821798 |
| Adenosine receptor A2b | Ki | = | 31.4 | nM | 7.5 | Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor express... | 16821798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821798 | 10.1021/jm060277v | Adenosine receptor A3 | 2 |
| 16821798 | 10.1021/jm060277v | Adenosine receptor A2a | 2 |
| 16821798 | 10.1021/jm060277v | Adenosine receptor A1 | 2 |
| 16821798 | 10.1021/jm060277v | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine