Compound Detail
CHEMBL103150
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Basic Information
| ChEMBL ID | CHEMBL103150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAFFZYFREVCDTP-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
2.60
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | Ki | 7.32 | 7.265 | 48.0 | 2 |
| Adenosine receptor A1 CHEMBL226 | Ki | 7.3 | 6.32 | 50.1 | 3 |
| Adenosine receptor A2a CHEMBL251 | Ki | 6.05 | 6.025 | 900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 48.0 | nM | 7.32 | Binding affinity against adenosine A1 receptor in bovine cortical membranes usin... | 15163184 |
| Adenosine receptor A1 | Ki | = | 50.12 | nM | 7.3 | Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell... | 16279775 |
| Adenosine receptor A1 | Ki | = | 61.5 | nM | 7.21 | Displacement of [3H]DPCPX from adenosine A1 receptor in bovine brain cortical me... | 15163184 |
| Adenosine receptor A2a | Ki | = | 900.0 | nM | 6.05 | Binding affinity against adenosine A2 receptor in bovine striatal membranes usin... | 15163184 |
| Adenosine receptor A2a | Ki | = | 1000.0 | nM | 6.0 | Binding affinity against adenosine A2 receptor in human striatal membranes using... | 15163184 |
| Adenosine receptor A1 | Ki | = | 1447.0 | nM | 5.84 | Displacement of [3H]DPCPX from adenosine A1 receptor in human brain cortical mem... | 15163184 |
| Adenosine receptor A1 | Ki | = | 1500.0 | nM | 5.82 | Binding affinity against adenosine A1 receptor in human cortical membranes using... | 15163184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163184 | 10.1021/jm030977p | Adenosine receptor A1 | 4 |
| 15163184 | 10.1021/jm030977p | Adenosine receptor A2a | 2 |
| 15163184 | 10.1021/jm030977p | Unchecked | 1 |
| 15163184 | 10.1021/jm030977p | Adenosine receptors; A1 & A2 | 1 |
| 16279775 | 10.1021/jm050407k | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine