Compound Detail
CHEMBL68660
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 | CHEMBL68660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUGSATKSDJICNS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.05
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.9 | 5.9 | 1260.0 | 1 |
| Adenosine receptor A2b CHEMBL255 | Ki | 5.12 | 5.12 | 7580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1260.0 | nM | 5.9 | Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane | 7932565 |
| Adenosine receptor A2b | Ki | = | 7580.0 | nM | 5.12 | Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, usin... | 12014951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932565 | 10.1021/jm00046a022 | Adenosine receptor A1 | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptor A2a | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptor A3 | 1 |
| 7932565 | 10.1021/jm00046a022 | Adenosine receptors; A1 & A3 | 1 |
| 12014951 | 10.1021/jm0104318 | Adenosine receptor A2b | 1 |
Data from ChEMBL 36 via Core Engine