Compound Detail
CHEMBL2094078
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Basic Information
| ChEMBL ID | CHEMBL2094078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIXRHETYMQEYNK-UVCRECLJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
0.65
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 2.4 | nM | 8.62 | Binding affinity to adenosine A1 receptor in rat whole brain membranes by [3H]N6... | 2888894 |
| Adenosine A2 receptor | Ki | = | 98.0 | nM | 7.01 | Binding affinity to A2 adenosine receptor in rat striatal membranes by [3H]NECA ... | 2888894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2888894 | 10.1021/jm00393a003 | Mus musculus | 2 |
| 11063610 | 10.1021/jm000287a | Phosphoglycerate kinase | 1 |
| 2888894 | 10.1021/jm00393a003 | Adenosine receptor A1 | 1 |
| 2888894 | 10.1021/jm00393a003 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine