Compound Detail
CHEMBL605878
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Nc1nc(OCCc2ccc3ccccc3c2)nc2c1ncn2C1O[C@@H](CO)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL605878 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCDBQJZQQFLFGG-PIJSLZJWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
0.79
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine A2 receptor CHEMBL2094257 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Adenosine receptor A1 CHEMBL2304404 | EC50 | 4.94 | 4.94 | 11481.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine A2 receptor | EC50 | = | 0.5012 | nM | 9.3 | Concentration required for coronary arteries vasodilation at the Adenosine A2 re... | 2016708 |
| Adenosine receptor A1 | EC50 | = | 11481.54 | nM | 4.94 | 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