Compound Detail
CHEMBL390407
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 | CHEMBL390407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPXVQXPLNOJZBB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
4.83
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 8.47 | 8.47 | 3.4 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 3.4 | nM | 8.47 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 17665891 |
| Adenosine receptor A3 | Ki | = | 3.4 | nM | 8.47 | Antagonist activity at human adenosine A3 receptor | 21511471 |
| Adenosine receptor A1 | Ki | = | 250.0 | nM | 6.6 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 17665891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665891 | 10.1021/jm070123v | Adenosine receptor A3 | 1 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A1 | 1 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A2a | 1 |
| 21511471 | 10.1016/j.bmcl.2011.03.073 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine