Compound Detail
CHEMBL2381254
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Basic Information
| ChEMBL ID | CHEMBL2381254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHCSOUAODWJXJW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.14
ALogP
7
HBA
1
HBD
86.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.48 | 7.385 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 3.3 | nM | 8.48 | Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus inf... | 23540645 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 516.0 | nM | 6.29 | Inhibition of PI3Kalpha in human PC3 cells assessed as inhibition of AKT phospho... | 23540645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23540645 | 10.1016/j.bmcl.2013.02.102 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
Data from ChEMBL 36 via Core Engine