Compound Detail
CHEMBL609338
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 | CHEMBL609338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTHGHNBTEPTUHZ-PSOSHUPLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
0.12
ALogP
11
HBA
5
HBD
163.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 8.12 | 8.12 | 7.6 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 4.31 | 4.31 | 48977.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 7.586 | nM | 8.12 | Tested for adenosine A2 receptor agonistic activity by determining coronary vaso... | 1469688 |
| Adenosine receptor A1 | EC50 | = | 48977.88 | nM | 4.31 | Tested for adenosine A1 receptor agonistic activity by determining concentration... | 1469688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469688 | 10.1021/jm00102a008 | Adenosine receptor A1 | 1 |
| 1469688 | 10.1021/jm00102a008 | Adenosine A2 receptor | 1 |
| 1469688 | 10.1021/jm00102a008 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine