Compound Detail
CHEMBL2089100
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Basic Information
| ChEMBL ID | CHEMBL2089100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVMCCRMQKJPSRW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.8
MW (Da)
2.39
ALogP
7
HBA
0
HBD
60.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.1 | 5.1 | 7900.0 | 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 beta isoform | IC50 | = | 160.0 | nM | 6.8 | Inhibition of PI3K beta by continuous TR-FRET assay | 24900504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of PI3K alpha by continuous TR-FRET assay | 24900504 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of PI3K gamma by continuous TR-FRET assay | 24900504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900504 | 10.1021/ml300045b | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 24900504 | 10.1021/ml300045b | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 24900504 | 10.1021/ml300045b | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 24900504 | 10.1021/ml300045b | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine