Compound Detail
CHEMBL2112597
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Basic Information
| ChEMBL ID | CHEMBL2112597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCHSDZWYFZFOEU-PHDIDXHHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
0.08
ALogP
7
HBA
3
HBD
115.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A2a CHEMBL302 | Ki | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a | Ki | = | 20800.0 | nM | 4.68 | Binding affinity to adenosine A2A receptor in rat striatal membranes by measurin... | 7707320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A1 | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A2a | 1 |
| 7707320 | 10.1021/jm00007a014 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine