Compound Detail
CHEMBL605465
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
COc1ccc(CCOc2nc(N)c3ncn(C4O[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL605465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWGCPRBVVATXOT-AOTTWXCTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
447.4
MW (Da)
-0.34
ALogP
12
HBA
4
HBD
167.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 8.31 | 8.31 | 4.9 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 4.37 | 4.37 | 42657.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 4.898 | nM | 8.31 | Concentration required for coronary arteries vasodilation at the Adenosine A2 re... | 2016708 |
| Adenosine receptor A1 | EC50 | = | 42657.95 | nM | 4.37 | Effective concentration required for prolongation of the stimulus-QRS interval b... | 2016708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016708 | 10.1021/jm00108a015 | Adenosine receptor A1 | 1 |
| 2016708 | 10.1021/jm00108a015 | Adenosine A2 receptor | 1 |
| 2016708 | 10.1021/jm00108a015 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine