Compound Detail
CHEMBL443274
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Basic Information
| ChEMBL ID | CHEMBL443274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEWZPTKAJDLRTQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
1.73
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL2304404 | Ki | 5.89 | 5.89 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1300.0 | nM | 5.89 | Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes... | 1501234 |
| Adenosine receptor A1 | Ki | = | 1300.0 | nM | 5.89 | Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrai... | 1992150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1501234 | 10.1021/jm00094a022 | Rattus norvegicus | 23 |
| 1501234 | 10.1021/jm00094a022 | Adenosine receptor A1 | 1 |
| 1501234 | 10.1021/jm00094a022 | Adenosine A2 receptor | 1 |
| 1501234 | 10.1021/jm00094a022 | Adenosine receptors; A1 & A2 | 1 |
| 1992150 | 10.1021/jm00105a072 | Adenosine receptor A1 | 1 |
| 1992150 | 10.1021/jm00105a072 | Adenosine A2 receptor | 1 |
| 1992150 | 10.1021/jm00105a072 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine