Compound Detail
CHEMBL11054
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Basic Information
| ChEMBL ID | CHEMBL11054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZPPSCQEEUUJSB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
0.33
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.47
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Adenosine receptor A2a CHEMBL2605 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 6.0 | nM | 8.22 | Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cy... | 2991519 |
| Adenosine receptor A1 | Ki | = | 340.0 | nM | 6.47 | Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors ... | 2984420 |
| Adenosine receptor A2a | Ki | = | 1000.0 | nM | 6.0 | Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices... | 2984420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991519 | 10.1021/jm00146a016 | Adenosine receptor A1 | 1 |
| 2991519 | 10.1021/jm00146a016 | Bos taurus | 1 |
| 2984420 | 10.1021/jm00382a018 | Adenosine receptor A1 | 1 |
| 2984420 | 10.1021/jm00382a018 | Adenosine receptor A2a | 1 |
| 2984420 | 10.1021/jm00382a018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine