Compound Detail
CHEMBL429032
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Basic Information
| ChEMBL ID | CHEMBL429032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRSBUPSNCRSOAU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
0.64
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.46
Ki 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 6.72 | 6.72 | 190.6 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Adenosine receptor A1 CHEMBL4975 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 190.55 | nM | 6.72 | Evaluated for binding affinity against Adenosine A1 receptor | 1542091 |
| Adenosine receptor A1 | IC50 | = | 350.0 | nM | 6.46 | Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cy... | 2991519 |
| Adenosine receptor A1 | IC50 | = | 350.0 | nM | 6.46 | Binding affinity against adenosine A1 receptor in rat brain membrane preparation... | 3806606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806606 | 10.1021/jm00384a016 | Adenosine receptor A1 | 2 |
| 2991519 | 10.1021/jm00146a016 | Adenosine receptor A1 | 1 |
| 2991519 | 10.1021/jm00146a016 | Bos taurus | 1 |
| 1542091 | 10.1021/jm00082a003 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine