Compound Detail
CHEMBL319540
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Basic Information
| ChEMBL ID | CHEMBL319540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YREQEESKYDNGOE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
2.62
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.75
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 2710.0 | nM | 5.57 | Inhibitory activity against epidermal growth factor receptor tyrosine kinase. | 9357527 |
| Adenosine receptor A1 | Ki | = | 18000.0 | nM | 4.75 | Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H... | 2213835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213835 | 10.1021/jm00172a023 | Adenosine receptor A1 | 2 |
| 2213835 | 10.1021/jm00172a023 | Adenosine A2 receptor | 2 |
| 2213835 | 10.1021/jm00172a023 | Adenosine receptors; A1 & A2 | 1 |
| 9357527 | 10.1021/jm970124v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine