Compound Detail
CHEMBL1210734
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Basic Information
| ChEMBL ID | CHEMBL1210734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKUZVOQBVAZHER-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
0.57
ALogP
9
HBA
1
HBD
113.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.89 | 5.89 | 1294.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.55 | 5.55 | 2806.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.53 | 5.53 | 2965.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 400.0 | nM | 6.4 | Antagonist activity against human adenosine A2A receptor | 20537438 |
| Adenosine receptor A2b | Ki | = | 1294.0 | nM | 5.89 | Antagonist activity against human adenosine A2B receptor | 20537438 |
| Adenosine receptor A3 | Ki | = | 2806.0 | nM | 5.55 | Antagonist activity against human adenosine A3 receptor | 20537438 |
| Adenosine receptor A1 | Ki | = | 2965.0 | nM | 5.53 | Antagonist activity against human adenosine A1 receptor | 20537438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20537438 | 10.1016/j.ejmech.2010.04.039 | Adenosine receptor A2b | 1 |
| 20537438 | 10.1016/j.ejmech.2010.04.039 | Adenosine receptor A2a | 1 |
| 20537438 | 10.1016/j.ejmech.2010.04.039 | Adenosine receptor A1 | 1 |
| 20537438 | 10.1016/j.ejmech.2010.04.039 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine