Compound Detail
CHEMBL34862
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Basic Information
| ChEMBL ID | CHEMBL34862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJOWSBOERSTJAR-UHFFFAOYSA-M |
| Parent Compound | CHEMBL8565 |
| Active Moiety | CHEMBL8565 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
0.74
ALogP
6
HBA
3
HBD
137.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 7.27 | 7.27 | 53.4 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| Adenosine receptor A2a CHEMBL302 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 53.4 | nM | 7.27 | Inhibition of [3H]ZM-241385 binding to human adenosine A2B receptor | 11906291 |
| Adenosine receptor A1 | Ki | = | 2200.0 | nM | 5.66 | Inhibition of [3H]CCPA binding to rat adenosine A1 receptor | 11906291 |
| Adenosine receptor A2a | Ki | = | 24000.0 | nM | 4.62 | Inhibition of [3H]MSX-2 binding to rat adenosine A2A receptor | 11906291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11906291 | 10.1021/jm011049y | Adenosine receptor A1 | 2 |
| 11906291 | 10.1021/jm011049y | Adenosine receptor A2a | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptor A2b | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptor A3 | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptors; A1 & A2b | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine A2 receptor | 1 |
| 11906291 | 10.1021/jm011049y | Adenosine receptors; A2b & A3 | 1 |
Data from ChEMBL 36 via Core Engine