Compound Detail
CHEMBL2322901
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 | CHEMBL2322901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAQCCCWUMSQYML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.13
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 25.0 | nM | 7.6 | Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO ... | 23427825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2b | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A2a | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A1 | 1 |
| 23427825 | 10.1021/jm400068e | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine