Compound Detail
CHEMBL609231
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 | CHEMBL609231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIIMDTONNDYKSE-YIMBWITCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
-1.17
ALogP
11
HBA
5
HBD
163.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 7.88 | 7.88 | 13.2 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 4.87 | 4.87 | 13489.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 13.18 | nM | 7.88 | In vitro effect on coronary vasodilation in guinea pig heart. | 1469687 |
| Adenosine receptor A1 | EC50 | = | 13489.63 | nM | 4.87 | In vitro prolonging of the stimulus-QRS interval in guinea pig heart. | 1469687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469687 | 10.1021/jm00102a007 | Adenosine receptor A1 | 1 |
| 1469687 | 10.1021/jm00102a007 | Adenosine A2 receptor | 1 |
| 1469687 | 10.1021/jm00102a007 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine