Compound Detail
CHEMBL66053
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Basic Information
| ChEMBL ID | CHEMBL66053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZKFMQXFLWKESD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
1.11
ALogP
7
HBA
2
HBD
111.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 57.0 | nM | 7.24 | Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex ... | 3806597 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806597 | 10.1021/jm00384a037 | Adenosine A2 receptor | 1 |
| 3806597 | 10.1021/jm00384a037 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine