Compound Detail
CHEMBL440339
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 | CHEMBL440339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFPHQBBTMLURPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.8
MW (Da)
5.20
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 200.0 | nM | 6.7 | Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CH... | 16821770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351847 | 10.1021/jm00399a005 | Mycoplasmoides gallisepticum | 2 |
| 9767637 | 10.1021/jm980037i | Adenosine receptor A3 | 1 |
| 9767637 | 10.1021/jm980037i | Adenosine receptor A1 | 1 |
| 9767637 | 10.1021/jm980037i | Adenosine receptor A2a | 1 |
| 16821770 | 10.1021/jm051112+ | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine