Compound Detail
CHEMBL5093743
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 | CHEMBL5093743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDIJWMVTYZIEQU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.22
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL226 | Ki | 6.95 | 6.95 | 112.2 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.99 | 5.99 | 1023.3 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.87 | 5.87 | 1349.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 112.2 | nM | 6.95 | Displacement of [3H]-DPCPX from human A1 receptor expressed in CHO cell membrane... | 33764785 |
| Adenosine receptor A2a | Ki | = | 1023.29 | nM | 5.99 | Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell me... | 33764785 |
| Adenosine receptor A3 | Ki | = | 1348.96 | nM | 5.87 | Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane... | 33764785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33764785 | 10.1021/acs.jmedchem.0c01856 | Adenosine receptor A2a | 3 |
| 33764785 | 10.1021/acs.jmedchem.0c01856 | Adenosine receptor A1 | 1 |
| 33764785 | 10.1021/acs.jmedchem.0c01856 | Adenosine receptor A3 | 1 |
| 33764785 | 10.1021/acs.jmedchem.0c01856 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine