Compound Detail
CHEMBL272795
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Basic Information
| ChEMBL ID | CHEMBL272795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTQBWKGZTBCDEM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.8
MW (Da)
3.78
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
IC50 1 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | IC50 | 8.73 | 8.73 | 1.8 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.35 | 5.35 | 4480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | IC50 | = | 1.84 | nM | 8.73 | Antagonist activity at human adenosine A3 receptor expressed in CHO cells assess... | 18269230 |
| Adenosine receptor A3 | Ki | = | 2.0 | nM | 8.7 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 18269230 |
| Adenosine receptor A1 | Ki | = | 4480.0 | nM | 5.35 | Displacement of [3H]DPDPX from human adenosine A1 receptor expressed in CHO cell... | 18269230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269230 | 10.1021/jm701159t | Adenosine receptor A3 | 2 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A2b | 2 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A2a | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine