Compound Detail
CHEMBL453690
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Basic Information
| ChEMBL ID | CHEMBL453690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRFXCWWDCNCZJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
3.18
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]CCPA from rat adenosine A1 receptor | 17602796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17602796 | 10.1016/j.ejmech.2007.05.001 | Adenosine receptor A1 | 2 |
| 17602796 | 10.1016/j.ejmech.2007.05.001 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine