Compound Detail
CHEMBL273295
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Basic Information
| ChEMBL ID | CHEMBL273295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XACOMWJOMNPJCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
1.66
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL4975 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Adenosine receptor A1 CHEMBL318 | IC50 | 6.93 | 6.93 | 118.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | IC50 | = | 3.3 | nM | 8.48 | Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cy... | 2991519 |
| Adenosine receptor A1 | IC50 | = | 118.0 | nM | 6.93 | Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclo... | 2991519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991519 | 10.1021/jm00146a016 | Adenosine receptor A1 | 2 |
Data from ChEMBL 36 via Core Engine