Compound Detail
CHEMBL168080
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 | CHEMBL168080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMMLREBGPOOVPU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
4.69
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.89 | 5.89 | 1290.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.35 | 5.35 | 4480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1290.0 | nM | 5.89 | Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain... | 8576921 |
| Adenosine receptor A3 | Ki | = | 4480.0 | nM | 5.35 | Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed i... | 8576921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576921 | 10.1021/jm950661k | Adenosine receptor A1 | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A2a | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine