Compound Detail
CHEMBL2322232
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Basic Information
| ChEMBL ID | CHEMBL2322232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRURTXZDUITNOO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.8
MW (Da)
4.01
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.95 | 6.95 | 112.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.38 | 6.38 | 418.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.23 | 6.23 | 586.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.43 | 5.43 | 3732.0 | 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 alpha isoform | IC50 | = | 112.0 | nM | 6.95 | Inhibition of PI3K p110alpha (unknown origin) | 23410005 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 418.0 | nM | 6.38 | Inhibition of PI3K p110beta (unknown origin) | 23410005 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 586.0 | nM | 6.23 | Inhibition of PI3K p110gamma (unknown origin) | 23410005 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 3732.0 | nM | 5.43 | Inhibition of PI3K p110delta (unknown origin) | 23410005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23410005 | 10.1021/jm301522m | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 23410005 | 10.1021/jm301522m | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 23410005 | 10.1021/jm301522m | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 23410005 | 10.1021/jm301522m | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine