Compound Detail
CHEMBL242849
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Basic Information
| ChEMBL ID | CHEMBL242849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWPDTDVAOYNNDB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
6.34
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
EC50 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | EC50 | 8.42 | 8.42 | 3.8 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.83 | 5.83 | 1491.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | EC50 | = | 3.8 | nM | 8.42 | Antagonist activity at human adenosine A3 receptor expressed in CHO cells assess... | 17665891 |
| Adenosine receptor A3 | Ki | = | 8.9 | nM | 8.05 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO ... | 17665891 |
| Adenosine receptor A1 | Ki | = | 1491.0 | nM | 5.83 | Displacement of [3H]DPCPX from Wistar rat adenosine A1 receptor | 17665891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665891 | 10.1021/jm070123v | Adenosine receptor A3 | 4 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A1 | 2 |
| 17665891 | 10.1021/jm070123v | Adenosine receptor A2a | 2 |
Data from ChEMBL 36 via Core Engine