Compound Detail
CHEMBL256123
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 | CHEMBL256123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBRWEJMXORBYNB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
3.97
ALogP
8
HBA
2
HBD
107.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL251 | Ki | 9.52 | 9.52 | 0.3 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK... | 18329269 |
| Adenosine receptor A2a | Ki | = | 0.3 | nM | 9.52 | Binding affinity at adenosine A2A receptor | 18329269 |
| Adenosine receptor A1 | Ki | = | 68.0 | nM | 7.17 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 c... | 18329269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18329269 | 10.1016/j.bmcl.2008.02.032 | Adenosine receptor A2a | 2 |
| 18329269 | 10.1016/j.bmcl.2008.02.032 | Adenosine receptor A1 | 1 |
| 18329269 | 10.1016/j.bmcl.2008.02.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine