Compound Detail
CHEMBL590302
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL590302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQFHHNJNCSFAOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
5.78
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2b CHEMBL255 | Ki | 6.47 | 6.47 | 337.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2b | Ki | = | 337.0 | nM | 6.47 | Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO c... | 20188574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A3 | 2 |
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A2a | 2 |
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A1 | 2 |
| 20188574 | 10.1016/j.bmc.2010.01.072 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine