Compound Detail
CHEMBL62756
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Basic Information
| ChEMBL ID | CHEMBL62756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOZYZBRNUYGQNF-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
1.40
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.99
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | Ki | 4.99 | 4.99 | 10300.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 4.42 | 4.275 | 38000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase, PI4K | Ki | = | 10300.0 | nM | 4.99 | Binding affinity (Ki) against human phosphatidylinositol 4-kinase | 2165159 |
| Epidermal growth factor receptor | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against epidermal growth factor receptor tyrosine kinase. | 9357527 |
| Phosphatidylinositol 4-kinase, PI4K | IC50 | = | 15400.0 | nM | 4.81 | Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the AT... | 2165159 |
| Adenosine receptor A1 | Ki | = | 19000.0 | nM | 4.72 | Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA ... | 1895305 |
| Adenosine A2 receptor | Ki | = | 38000.0 | nM | 4.42 | Binding affinity against adenosine A2 receptor in rat striatum by using [3H]NECA... | 1895305 |
| Adenosine A2 receptor | Ki | = | 74000.0 | nM | 4.13 | Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as... | 1895305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 2 |
| 1895305 | 10.1021/jm00113a029 | Adenosine A2 receptor | 2 |
| 1895305 | 10.1021/jm00113a029 | Adenosine receptor A1 | 1 |
| 1895305 | 10.1021/jm00113a029 | ADMET | 1 |
| 1895305 | 10.1021/jm00113a029 | Adenosine receptors; A1 & A2 | 1 |
| 9357527 | 10.1021/jm970124v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine