Compound Detail
CHEMBL3589374
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Basic Information
| ChEMBL ID | CHEMBL3589374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URIHSPIQMWIPON-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.28
ALogP
7
HBA
0
HBD
57.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 5.7 | 5.7 | 1990.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL2498 | IC50 | 5.26 | 5.26 | 5490.0 | 1 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554 | IC50 | 4.54 | 4.54 | 28640.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.11 | 4.11 | 78450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 1990.0 | nM | 5.7 | Cytotoxic activity against human HeLa cells over-expressing PI3K p110alpha incub... | 26037808 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 5490.0 | nM | 5.26 | Inhibition of GST-tagged bovine p110alpha expressed in Sf9/Baculovirus system us... | 26037808 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | IC50 | = | 28640.0 | nM | 4.54 | Inhibition of Glu-tagged PI3KC2beta (unknown origin) expressed in Sf9/Baculoviru... | 26037808 |
| SK-OV-3 | IC50 | = | 78450.0 | nM | 4.11 | Cytotoxic activity against human SKOV3 cells expressing PIK3CA mutant incubated ... | 26037808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26037808 | 10.1016/j.ejmech.2015.05.036 | Unchecked | 4 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | 1 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | HeLa | 1 |
| 26037808 | 10.1016/j.ejmech.2015.05.036 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine