Compound Detail
CHEMBL272174
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Basic Information
| ChEMBL ID | CHEMBL272174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXTYNRQUEVYKGM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
1.95
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.95 | 5.95 | 1121.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 31.0 | nM | 7.51 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 18269230 |
| Adenosine receptor A2a | Ki | = | 1121.0 | nM | 5.95 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell... | 18269230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18269230 | 10.1021/jm701159t | Adenosine receptor A1 | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A2a | 1 |
| 18269230 | 10.1021/jm701159t | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine