Compound Detail
CHEMBL1645101
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Basic Information
| ChEMBL ID | CHEMBL1645101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQNSEPUCIJQTJL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
0.79
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 4.53 | 4.53 | 29300.0 | 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 delta isoform | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human PI3K p110delta catalytic subunit by AlphaScreen assay | 21169017 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human PI3K p110beta catalytic subunit by AlphaScreen competition a... | 21169017 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 29300.0 | nM | 4.53 | Inhibition of human p110alpha PI3K fragment by AlphaScreen assay | 21169017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 21169017 | 10.1016/j.bmcl.2010.11.087 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine