Compound Detail
CHEMBL182754
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 | CHEMBL182754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYSMFWKPHUCQMS-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
4.35
ALogP
8
HBA
2
HBD
97.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 6.51 | 6.51 | 312.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 312.0 | nM | 6.51 | Binding affinity against Adenosine A2a receptor from rat brain tissue was determ... | 15341933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341933 | 10.1016/j.bmcl.2004.07.047 | Adenosine receptor A2a | 1 |
| 15341933 | 10.1016/j.bmcl.2004.07.047 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine