Compound Detail
CHEMBL4560015
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Basic Information
| ChEMBL ID | CHEMBL4560015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTEWLPVTWMSKGP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.32
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 7.37 | 7.37 | 43.2 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.54 | 5.54 | 2870.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.49 | 5.49 | 3240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 43.2 | nM | 7.37 | Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor exp... | 30568760 |
| Adenosine receptor A1 | Ki | = | 2870.0 | nM | 5.54 | Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO ce... | 30568760 |
| Adenosine receptor A2a | Ki | = | 3240.0 | nM | 5.49 | Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell me... | 30568760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30568760 | 10.1039/C8MD00317C | Adenosine receptor A2b | 1 |
| 30568760 | 10.1039/C8MD00317C | Adenosine receptor A3 | 1 |
| 30568760 | 10.1039/C8MD00317C | Adenosine receptor A2a | 1 |
| 30568760 | 10.1039/C8MD00317C | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine