Compound Detail
CHEMBL112587
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Basic Information
| ChEMBL ID | CHEMBL112587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRTZRNZCONENQR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.48
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 76.0 | nM | 7.12 | Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [... | 8230124 |
| Adenosine A2 receptor | Ki | = | 2300.0 | nM | 5.64 | Binding affinity against Adenosine A2 receptor in rat striatal membranes using [... | 8230124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230124 | 10.1021/jm00074a015 | Adenosine receptor A1 | 1 |
| 8230124 | 10.1021/jm00074a015 | Adenosine A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine