Compound Detail
CHEMBL211173
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Basic Information
| ChEMBL ID | CHEMBL211173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YICAXAAHZCUKRE-SDQBBNPISA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.68
ALogP
6
HBA
3
HBD
99.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human PI3Kgamma | 16789742 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence in... | 25050878 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human PI3Kalpha | 16789742 |
| RAW264.7 | IC50 | = | 3490.0 | nM | 5.46 | Inhibition of C5a-mediated PKB/Akt phosphorylation in mouse Raw264 macrophage | 16789742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789742 | 10.1021/jm0601598 | RAW264.7 | 1 |
| 16789742 | 10.1021/jm0601598 | No relevant target | 1 |
| 16789742 | 10.1021/jm0601598 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 16789742 | 10.1021/jm0601598 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 25050878 | 10.1016/j.ejmech.2014.07.056 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine